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 CID /aug-cc-pVQZ

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 LiH Lithium Hydride 1ΣC∞v
6 Be Beryllium atom 1SKh
7 Be+ Beryllium atom cation 2SKh
8 Mg Magnesium atom 1SKh
9 Mg+ Magnesium atom cation 2SKh
10 B Boron atom 2PKh
11 B Boron atom 4PKh
12 B+ Boron atom cation 1SKh
13 Al Aluminum atom 2PKh
14 Al+ Aluminum atom cation 1SKh
15 C Carbon atom 3P0Kh
16 C Carbon atom 3P1Kh
17 C+ Carbon atom cation 2PKh
18 Si Silicon atom 3PKh
19 Si Silicon atom 1SKh
20 Si+ Silicon atom cation 2PKh
21 CH4 Methane 1A1Td
22 N Nitrogen atom 4SKh
23 N Nitrogen atom 2DKh
24 N+ Nitrogen atom cation 3PKh
25 P Phosphorus atom 4SKh
26 NH3 Ammonia 1A1C3v
27 O Oxygen atom 3SKh
28 O+ Oxygen atom cation 4SKh
29 S Sulfur atom 3PKh
30 OH Hydroxyl radical 2ΠC∞v
31 H2O Water 1A1C2v
32 F Fluorine atom 2PKh
33 F+ Fluorine atom cation 3SKh
34 Cl Chlorine atom 2PKh
35 Cl+ Chlorine atom cation 3PKh
36 HF Hydrogen fluoride 1ΣC∞v
37 HCl Hydrogen chloride 1ΣC∞v
38 Ne Neon atom 1SKh
39 Ne+ Neon atom cation 2PKh
40 Ar Argon atom 1SKh
41 Na2 Sodium diatomic 1ΣgD∞h
42 C2H2 Acetylene 1ΣgD∞h
43 C2H6 Ethane 1A1gD3d
44 N2 Nitrogen diatomic 1ΣgD∞h
45 CO Carbon monoxide 1ΣC∞v
46 NO Nitric oxide 2ΠC∞v
47 O2 Oxygen diatomic 3ΣgD∞h
48 H2CO Formaldehyde 1A1C2v
49 BF Boron monofluoride 1ΣC∞v
50 F2 Fluorine diatomic 1ΣgD∞h
51 Cl2 Chlorine diatomic 1ΣgD∞h
52 CO2 Carbon dioxide 1ΣgD∞h
53 BF3 Borane, trifluoro- 1A'D3h
54 AlF3 Aluminum trifluoride 1A1'D3h

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 anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K Potassium atom k  
22 K- Potassium atom anion k-  
23 K+ Potassium atom cation k+  
24 Cu Copper atom cu  
25 Cu- Copper atom anion cu-  
26 Cu+ Copper atom cation cu+  
27 LiH- lithium hydride anion lih-  
28 LiH+ lithium hydride cation lih+  
29 NaH sodium hydride nah  
30 NaH- sodium hydride anion nah-  
31 NaH+ sodium hydride cation nah+  
32 KH Potassium hydride kh  
33 KH+ Potassium hydrogen cation kh+  
34 CuH Copper monohydride cuh  
35 Be- Beryllium atom anion be-  
36 Mg- Magnesium atom anion mg-  
37 Ca Calcium atom ca  
38 Ca- Calcium atom anion ca-  
39 Ca+ Calcium atom cation ca+  
40 Zn Zinc atom zn  
41 Zn- Zinc atom anion zn-  
42 Zn+ Zinc atom cation zn+  
43 BeH beryllium monohydride beh  
44 BeH- berylium monohydride anion beh-  
45 BeH+ beryllium monohydride cation beh+  
46 MgH magnesium monohydride mgh  
47 MgH- magnesium monohydride anion mgh-  
48 MgH+ magnesium monohydride cation mgh+  
49 CaH Calcium monohydride cah  
50 CaH+ Calcium monohydride cation cah+  
51 TiH Titanium monohydride tih  
52 ZnH Zinc monohydride znh  
53 ZnH+ Zinc, protonated znh+  
54 BeH2 beryllium dihydride beh2  
55 BeH2+ Beryllium dihydride cation beh2+  
56 MgH2 magnesium dihydride mgh2  
57 CaH2 Calcium Hydride cah2  
58 ZnH2 Zinc hydride znh2  
59 B- Boron atom anion b-  
60 Al- Aluminum atom anion al-  
61 Sc Scandium atom sc  
62 Sc+ Scandium cation sc+  
63 Ga Gallium atom ga  
64 Ga- Gallium atom anion ga-  
65 Ga+ Gallium atom cation ga+  
66 BH Boron monohydride bh  
67 BH- boron monohydride anion bh-  
68 BH+ boron monohydride cation bh+  
69 AlH aluminum monohydride alh  
70 AlH- aluminum monohydride anion alh-  
71 AlH+ aluminum monohydride cation alh+  
72 ScH Scandium monohydride sch  
73 ScH+ Scandium monohydride cation sch+  
74 GaH Gallium monohydride gah  
75 GaH+ Gallium monohydride cation gah+  
76 BH2 boron dihydride bh2  
77 BH2- boron dihydride anion bh2-  
78 BH2+ Boron dihydride cation bh2+  
79 AlH2 aluminum dihydride alh2  
80 AlH2- aluminum dihydride anion alh2-  
81 AlH2+ aluminum dihydride cation alh2+  
82 BH3 boron trihydride bh3  
83 BH3- boron trihydride anion bh3-  
84 BH3+ boron trihydride cation bh3+  
85 AlH3 aluminum trihydride alh3  
86 AlH3- aluminum trihydride anion alh3-  
87 AlH3+ aluminum trihydride cation alh3+  
88 ScH3 Scandium trihydride sch3  
89 GaH3 Gallium trihydride gah3  
90 BH4 borohydride bh4  
91 BH4- borohydride anion bh4-  
92 AlH4- Aluminum tetrahydride anion alh4-  
93 C- Carbon atom anion c-  
94 Si- Silicon atom anion si-  
95 Ti Titanium atom ti  
96 Ti- Titanium atom anion ti-  
97 Ti+ Titanium atom cation ti+  
98 Ge Germanium atom ge  
99 Ge- Germanium anion ge-  
100 Ge+ Germanium cation ge+  
101 Sn Tin atom sn  
102 Sn+ Tin cation sn+  
103 CH Methylidyne ch  
104 CH- methylidyne anion ch-  
105 CH+ Methylidyne cation ch+  
106 SiH Silylidyne sih  
107 SiH- silicon monohydride anion sih-  
108 SiH+ silicon monohydride cation sih+  
109 GeH germylidene geh  
110 GeH+ Germaniun monohyrdide cation geh+  
111 CH2 Methylene ch2  
112 CH2- methylene anion ch2-  
113 CH2+ methylene cation ch2+  
114 SiH2 silicon dihydride sih2  
115 SiH2- silicon dihydride anion sih2-  
116 SiH2+ silicon dihydride cation sih2+  
117 GeH2 germylene geh2  
118 GeH2- germylene anion geh2-  
119 CH3 Methyl radical ch3  
120 CH3- methyl anion ch3-  
121 CH3+ methyl cation ch3+  
122 SiH3 Silyl radical sih3  
123 SiH3- Silyl anion sih3-  
124 SiH3+ Silyl cation sih3+  
125 GeH3 Germyl radical geh3  
126 GeH3+ germyl cation geh3+  
127 CD4 methane-d4 cd4  
128 CH2D2 methane-d2 ch2d2  
129 CH3D methane-d ch3d  
130 CH4- Methane anion ch4-  
131 CH4+ Methane cation ch4+  
132 CHD3 methane-d3 chd3  
133 SiH2D2 silane-d2 sih2d2  
134 SiH4 Silane sih4  
135 SiH4+ Silane cation sih4+  
136 GeH4 Germane geh4  
137 SnH4 Stannane snh4  
138 SiH5+ Silane, protonated sih5+  
139 N- Nitrogen atom anion n-  
140 P- Phosphorus atom anion p-  
141 P+ Phosphorus atom cation p+  
142 V Vanadium atom v  
143 V+ Vanadium atom cation v+  
144 As Arsenic atomic as  
145 As- Arsenic anion as-  
146 As+ Arsenic cation as+  
147 Sb Antimony atom sb  
148 NH Imidogen nh  
149 NH- Imidogen anion nh-  
150 NH+ imidogen cation nh+  
151 PH phosphorus monohydride ph  
152 PH- phosphorus monohydride anion ph-  
153 PH+ phosphorus monohydride cation ph+  
154 AsH Arsenic monohydride ash  
155 AsH+ Arsenic monohydride cation ash+  
156 SbH Antimony monohydride sbh  
157 ND2 Amidogen-d2 nd2  
158 NH2 Amino radical nh2  
159 NH2- amino anion nh2-  
160 NH2+ Amino cation nh2+  
161 PH2 Phosphino radical ph2  
162 PH2- Phosphino anion ph2-  
163 PH2+ Phosphino cation ph2+  
164 AsH2 Arsenic dihydride ash2  
165 AsH2+ Arsenic dihydride cation ash2+  
166 ND3 Ammonia-d3 nd3  
167 NH3- Ammonia anion nh3-  
168 NH3+ ammonia cation nh3+  
169 PH3 Phosphine ph3  
170 PH3+ Phosphine cation ph3+  
171 AsH3 Arsine ash3  
172 AsH3+ Arsine cation ash3+  
173 SbH3 Stibine sbh3  
174 AsH4+ Arsonium ash4+  
175 NH4 Ammonium radical nh4  
176 NH4+ ammonium cation nh4+  
177 PH4 Phosphoranyl radical ph4  
178 PH4+ phosphonium cation ph4+  
179 O- Oxygen atom anion o-  
180 S- Sulfur atom anion s-  
181 S+ Sulfur atom cation s+  
182 Cr Chromium atom cr  
183 Se Selenium atom se  
184 Se- Selenium atom anion se-  
185 Se+ Selenium atom cation se+  
186 Te Tellurium atom te  
187 Te+ Tellurium atom cation te+  
188 DO Hydroxyl-d od  
189 OH- hydroxide anion oh-  
190 OH+ hydoxyl cation oh+  
191 DS Mercapto-d ds  
192 HS Mercapto radical hs  
193 HS- mercapto anion sh-  
194 HS+ sulfur monohydride cation sh+  
195 CrH Chromium hydride crh  
196 CrH+ Chromium hydride cation crh+  
197 HSe Selenium monohydride hse  
198 HSe- selenium monohydride anion hse-  
199 HSe+ selenium monohydride cation hse+  
200 TeH Telluryl radical teh  
201 D2O Deuterium oxide d2o  
202 H2O- water anion h2o-  
203 H2O+ water cation h2o+  
204 HDO Water-d1 hdo  
205 D2S Hydrogen sulfide-d2 d2s  
206 H2S Hydrogen sulfide h2s  
207 H2S- Hydrogen sulfide anion h2s-  
208 H2S+ Hydrogen sulfide cation h2s+  
209 H2Se Hydrogen selenide h2se  
210 H2Se+ Hydrogen selenide cation h2se+  
211 H2Te Hydrogen Telluride h2te  
212 H3O+ hydronium cation h3o+  
213 H3S+ Sulfonium cation h3s+  
214 H3Se+ Hydrogen Selenide, protonated h3se+  
215 F- Fluorine atom anion f-  
216 Cl- Chlorine atom anion cl-  
217 Mn Manganese atom mn  
218 Br Bromine atom br  
219 Br- Bromine atom anion br-  
220 Br+ Bromine atom cation br+  
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 anion hf-  
226 HF+ hydrogen fluoride cation hf+  
227 DCl Hydrochloric acid-d dcl  
228 HCl- hydrogen chloride anion hcl-  
229 HCl+ hydrogen chloride cation hcl+  
230 HBr hydrogen bromide hbr  
231 HBr- hydrogen bromide anion hbr-  
232 HBr+ hydrogen bromide cation hbr+  
233 HI Hydrogen iodide hi  
234 HI+ Hydrogen iodide cation hi+  
235 H2F+ dihydrogen fluoride cation h2f+  
236 H2Cl+ dihydrogen monochloride cation h2cl+  
237 H2Br+ protonated hydrogen bromide h2br+  
238 H2I+ Iodonium h2i+  
239 Ne- Neon atom anion ne-  
240 Ar- Argon atom anion ar-  
241 Ar+ Argon atom cation ar+  
242 Fe Iron atom fe  
243 Kr Krypton atom kr  
244 Kr+ Krypton cation kr+  
245 Xe Xenon atom xe  
246 HeLi+ Helium Lithium cation heli+  
247 NeH neon hydrogen neh  
248 NeH+ neon hydrogen cation neh+  
249 ArH+ Argon hydride cation arh+  
250 KrH+ Protonated Krypton krh+  
251 XeH+ Xenon, protonated xeh+  
252 H2Ar H2 Ar dimer h2ar  
253 Co Cobalt atom cobalt  
254 Ni Nickel atom ni  
255 Li2 Lithium diatomic li2  
256 Li2- lithium diatomic anion li2-  
257 Li2+ lithium diatomic cation li2+  
258 NaLi lithium sodium lina  
259 NaLi- lithium sodium anion lina-  
260 NaLi+ lithium sodium cation lina+  
261 LiK Lithium Potassium lik  
262 Na2- sodium diatomic anion na2-  
263 Na2+ sodium diatomic cation na2+  
264 NaK Sodium Potassium nak  
265 NaK+ Sodium Potassium diatomic cation nak+  
266 K2 Potassium diatomic k2  
267 Cu2 Copper diatomic cu2  
268 LiBe Lithium Beryllium libe  
269 LiMg Lithium magnesium limg  
270 NaBe Sodium Beryllium nabe  
271 NaMg Sodium Magnesium namg  
272 Be2 Beryllium diatomic be2  
273 Be2- Beryllium diatomic anion be2-  
274 Be2+ Beryllium diatomic cation be2+  
275 BeMg Beryllium Magnesium bemg  
276 Mg2 Magnesium diatomic mg2  
277 Mg2- magnesium diatomic anion mg2-  
278 Mg2+ magnesium diatomic cation mg2+  
279 Ca2 Calcium diatomic ca2  
280 LiB Lithium boride lib  
281 LiAl Lithium Aluminum lial  
282 NaAl Sodium aluminum naal  
283 BeB Beryllium monoboride beb  
284 B2 Boron diatomic b2  
285 B2- Boron diatomic anion b2-  
286 B2+ Boron diatomic cation b2+  
287 BAl Boron Aluminum bal  
288 Al2 Aluminum diatomic al2  
289 Al2- aluminum diatomic anion al2-  
290 Al2+ aluminum diatomic cation al2+  
291 BGa Boron Gallium bga  
292 AlGa Aluminum Gallium alga  
293 Ga2 Gallium diatomic ga2  
294 HBBH Diborane(2) hbbh  
295 LiBH4 Lithium borohydride libh4  
296 B2H4 Diborane(4) D2d b2h4  
297 HBHHBH Diborane(4) C2V hbhhbh  
298 B2H6 Diborane b2h6  
299 B2H6+ Diborane cation b2h6  
300 Al2H6 dialane al2h6  
301 Ga2H6 digallane ga2h6  
302 LiC Lithium Carbide lic  
303 BeC Beryllium Carbide bec  
304 CaC Calcium monocarbide cac  
305 BC boron monocarbide bc  
306 BC- boron monocarbide anion bc-  
307 BC+ boron monocarbide cation bc+  
308 AlC Aluminum carbide alc  
309 BSi Boron silicide bsi  
310 C2 Carbon diatomic c2  
311 C2- carbon diatomic anion c2-  
312 C2+ carbon diatomic cation c2+  
313 SiC silicon monocarbide sic  
314 SiC- silicon monocarbide anion sic-  
315 SiC+ silicon monocarbide cation sic+  
316 Si2 Silicon diatomic si2  
317 Si2- silcon diatomic anion si2-  
318 Si2+ silcon diatomic cation si2+  
319 GeC Germanium monocarbide gec  
320 SiGe Silicon Germanium sige  
321 Ge2 Germanium diatomic ge2  
322 C2H Ethynyl radical c2h  
323 C2H- Ethynyl anion c2h-  
324 C2H+ Ethynyl cation c2h+  
325 ZnCH2 Zinc methylene znch2  
326 C2H2+ acetylene cation c2h2+  
327 CCH2 vinylidene vinylidene  
328 H2CC- vinylidene anion h2cc-  
329 HCCH- acetylene anion c2h2-  
330 Si2H2 disilyne si2h2  
331 CH3Li methyl lithium ch3li  
332 CuCH3 monomethyl copper cuch3  
333 ZnCH3 Zinc monomethyl znch3  
334 CH2BH methyleneborane ch2bh  
335 C2H3 vinyl c2h3  
336 C2H3- vinyl anion c2h3-  
337 C2H3+ vinyl cation c2h3+  
338 C2H4 Ethylene c2h4  
339 C2H4- Ethylene anion c2h4-  
340 C2H4+ Ethylene cation c2h4+  
341 CH3CH methylmethylene ch3ch  
342 CH2SiH2 silaethylene ch2sih2  
343 Si2H4 Disilene si2h4  
344 CH3BH2 methylborane ch3bh2  
345 C2H5 Ethyl radical c2h5  
346 C2H5- Ethyl anion c2h5-  
347 C2H5+ Ethyl cation c2h5+  
348 C2H6+ ethane cation c2h6+  
349 CH3SiH3 methyl silane ch3sih3  
350 Si2H6 disilane si2h6  
351 GeH3CH3 methyl germane geh3ch3  
352 C2H7+ Ethane, protonated c2h7+  
353 LiN Lithium Nitride lin  
354 LiN+ Lithium Nitride cation lin+  
355 LiP Lithium monophosphide lip  
356 BeN Beryllium mononitride ben  
357 BeN- Beryllium mononitride anion ben-  
358 BeN+ Beryllium mononitride cation ben+  
359 MgN Magnesium Nitride mgn  
360 BN- boron nitride anion bn-  
361 AlN- aluminum mononitride anion aln-  
362 AlN+ aluminum mononitride cation aln+  
363 BP Boron monophosphide bp  
364 AlP Aluminum monophosphide alp  
365 GaN Gallium mononitride gan  
366 GaP Gallium monophosphide gap  
367 GaAs Gallium arsenide gaas  
368 BN boron nitride bn  
369 BN+ boron nitride cation bn+  
370 AlN Aluminum nitride aln  
371 CN Cyano radical cn  
372 CN- cyanide anion cn-  
373 CN+ Cyano cation cn+  
374 CP Carbon monophosphide cp  
375 CP- carbon monophosphide anion cp-  
376 CP+ carbon monophosphide cation cp+  
377 SiN Silicon nitride sin  
378 SiN- silicon mononitride anion sin-  
379 SiN+ silicon mononitride cation sin+  
380 SiP Silicon monophosphide sip  
381 SiP- Silicon monophosphide anion sip-  
382 SiP+ Silicon monophosphide cation sip+  
383 TiN Titanium mononitride tin  
384 N2- nitrogen diatomic anion n2-  
385 N2+ diatomic nitrogen cation n2+  
386 PN Phosphorus mononitride pn  
387 PN- phosphorus nitride anion pn-  
388 PN+ phosphorus nitride cation pn+  
389 P2 Phosphorus diatomic p2  
390 P2- phosphorus diatomic anion p2-  
391 P2+ phosphorus diatomic cation p2+  
392 AsN Arsenic mononitride asn  
393 AsP Arsenic monophosphide asp  
394 SbN Antimony nitride sbn  
395 As2 Arsenic diatomic as2  
396 HNB hydrogen nitrogen boron hnb  
397 HNC hydrogen isocyanide hnc  
398 HCN Hydrogen cyanide hcn  
399 HCN- Hydrogen cyanide anion hcn-  
400 HCN+ hydrogen cyanide cation hcn+  
401 HNC+ hydrogen isocyanide cation hnc+  
402 HCP Phosphaethyne hcp  
403 HCP+ Phosphaethyne cation hcp+  
404 NNH Dinitrogen monohydride nnh  
405 NNH+ Dinitrogen monohydride cation nnh+  
406 HPO Hydrogen phosphorus oxide hpo  
407 HPO+ Hydrogen phosphorus oxide cation hpo+  
408 LiNH2 lithium amide linh2  
409 HBNH Boranimine hbnh  
410 CNH2 Aminomethylidyne radical cnh2  
411 CNH2+ N-protonated hydrogen isocyanide cnh2+  
412 H2CN Dihydrogen cyanide radical h2cn  
413 H2CN+ hydrocyanonium cation h2cn+  
414 HCNH methyleneazane hcnh  
415 HCNH+ N-protonated HCN hcnh+  
416 H2NN Isodiazene h2nn  
417 N2H2 (E)-diazene n2h2  
418 N2H2 (Z)-Diazene n2h2z  
419 N2H2+ trans-diazene cation n2h2+  
420 CH2NH Methanimine ch3n  
421 CH2NH+ Methanimine cation ch2nh+  
422 CHNH2 aminomethylene chnh2  
423 CHNH2+ Aminocarbene cation chnh2+  
424 CH2PH Phosphaethene ch3p  
425 BH2NH2 Boranamine bh2nh2  
426 CH2NH2+ methyleneamine cation ch2nh2+  
427 N2H4 Hydrazine n2h4  
428 N2H4+ hydrazine cation n2h4+  
429 P2H4 Diphosphine p2h4  
430 CH3NH2 methyl amine ch3nh2  
431 CH3NH2+ methyl amine cation ch3nh2+  
432 CH3PH2 Methyl phosphine ch3ph2  
433 SiH3NH2 Silane, amino sih3nh2  
434 N2H5+ protonated hydrazine n2h5+  
435 BH3PH3 borane phosphine bh3ph3  
436 BH3NH3 borane ammonia bh3nh3  
437 CH3NH3 methyl ammonium radical ch3nh3  
438 CH3NH3+ protonated methylamine ch3nh3+  
439 CH3PH3+ methyl phosphine, protonated ch3ph3+  
440 NH3NH3 Ammonia Dimer nh3nh3  
441 N2H7+ ammonia ammonium dimer n2h7+  
442 LiO lithium oxide lio  
443 LiO- lithium oxide anion lio-  
444 LiO+ lithium oxide cation lio+  
445 LiS Lithium monosulfide lis  
446 LiS+ Lithium sulfide cation lis+  
447 NaO sodium monoxide nao  
448 NaO- sodium oxide anion nao-  
449 NaO+ sodium oxide cation nao+  
450 KO Potassium monoxide ko  
451 KO+ Potassium monoxide cation ko+  
452 NaS Sodium sulfide nas  
453 CuO Copper Monoxide cuo  
454 LiSe Lithium monoselenide lise  
455 BeO beryllium oxide beo  
456 BeO- Beryllium monoxide anion beo-  
457 BeO+ Beryllium monoxide cation beo+  
458 BeS beryllium sulfide bes  
459 MgO magnesium oxide mgo  
460 MgO- magnesium oxide anion mgo-  
461 MgO+ magnesium oxide cation mgo+  
462 CaO Calcium monoxide cao  
463 MgS magnesium sulfide mgs  
464 MgS- magnesium sulfide anion mgs-  
465 MgS+ magnesium sulfide cation mgs+  
466 CaS Calcium sulfide cas  
467 ZnO zinc monoxide zno  
468 ZnS Zinc sulfide zns  
469 BeS- Beryllium monosulfide anion bes-  
470 BeS+ Beryllium monosulfide cation bes+  
471 BO boron monoxide bo  
472 BO- boron monoxide anion bo-  
473 AlO Aluminum monoxide alo  
474 AlO- Aluminum monoxide anion alo-  
475 AlO+ aluminum monoxide cation alo+  
476 BS boron sulfide bs  
477 BS- boron monosulfide anion bs-  
478 BS+ boron monosulfide cation bs+  
479 AlS Aluminum sulfide als  
480 AlS- aluminum monosulfide anion als-  
481 AlS+ aluminum monosulfide cation als+  
482 ScO Scandium monoxide sco  
483 GaO Gallium monoxide gao  
484 GaS Gallium monosulfide gas  
485 BO+ boron monoxide cation bo+  
486 CO- carbon monoxide anion co-  
487 CO+ carbon monoxide cation co+  
488 CS carbon monosulfide cs  
489 CS- carbon monosulfide anion cs-  
490 CS+ carbon monosulfide cation cs+  
491 SiO Silicon monoxide sio  
492 SiO- silicon monoxide anion sio-  
493 SiO+ silicon monoxide cation sio+  
494 SiS silicon monosulfide sis  
495 SiS- silicon monosulfide anion sis-  
496 SiS+ silicon monosulfide cation sis+  
497 TiO Titanium monoxide tio  
498 CSe Carbon monoselenide cse  
499 CSe- Carbon monoselenide anion cse-  
500 CSe+ Carbon monoselenide cation cse+  
501 GeO Germanium monoxide geo  
502 GeO+ Germanium monoxide cation geo+  
503 GeS Germanium monosulfide ges  
504 SiSe Silicon Monoselenide sise  
505 SiSe+ Silicon Monoselenide cation sise+  
506 GeSe Germanium monoselenide gese  
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 anion o2-  
525 O2-- dioxygen dianion o2--  
526 O2+ diatomic oxygen cation o2+  
527 SO Sulfur monoxide so  
528 SO- sulfur monoxide anion so-  
529 SO+ sulfur monoxide cation so+  
530 S2 Sulfur diatomic s2  
531 S2- sulfur diatomic anion s2-  
532 S2+ sulfur diatomic cation s2+  
533 SeO Selenium monoxide seo  
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 se2  
541 Se2- selenium diatomic anion se2-  
542 Se2+ selenium diatomic cation se2+  
543 Te2 Tellurium diatomic te2  
544 LiOH lithium hydroxide lioh  
545 NaOH sodium hydroxide naoh  
546 KOH Potassium hydroxide koh  
547 BeOH beryllium monohydroxide beoh  
548 MgOH magnesium hydroxide mgoh  
549 CaOH Calcium monohydroxide caoh  
550 HBO Boron hydride oxide hbo  
551 HBS hydrogen boron sulfide hbs  
552 COH Hydroxymethylidyne coh  
553 COH+ Carbon Monoxide, protonated coh+  
554 HCO Formyl radical hco  
555 HCO- formyl anion hco-  
556 HCO+ Formyl cation hco+  
557 HCS Thioformyl radical hcs  
558 HCS- Thioformyl anion hcs-  
559 HCS+ Thioformyl cation hcs+  
560 HNO Nitrosyl hydride hno  
561 HNO- Nitrosyl hydride anion hno-  
562 HNO+ Nitrosyl hydride cation hno+  
563 NOH Hydroxyimidogen noh  
564 NOH+ O-protonated nitric oxide noh+  
565 HNS Sulfur imide hns  
566 HNS- Sulfur imide anion hns-  
567 HO2 Hydroperoxy radical ho2  
568 HO2- Hydroperoxy anion ho2-  
569 HO2+ Hydroperoxy cation ho2+  
570 HSO+ Sulfur Monoxide, S-protonated HSO+  
571 SOH Sulfur Hydroxide soh  
572 SOH+ Sulfur Monoxide, protonated soh+  
573 HS2 Thiosulfeno radical hs2  
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 H2CSe Selenoformaldehyde h2cse  
581 H2NO nitroxide h2no  
582 H2O2 Hydrogen peroxide h2o2  
583 H2O2+ Hydrogen peroxide cation h2o2+  
584 H2OO water oxide h2oo  
585 HOSH hydrogen thioperoxide hosh  
586 H2S2 Disulfane h2s2  
587 H2S2+ hydrogen disulfide cation h2s2+  
588 H2Se2 hydrogen diselenide h2se2  
589 CH2OH Hydroxymethyl radical ch2oh  
590 CH2OH+ hydroxymethyl cation ch2oh+  
591 CH3O Methoxy radical ch3o  
592 CH3O- methoxy anion ch3o-  
593 CH3O+ Methoxy cation ch3o+  
594 CH3S thiomethoxy ch3s  
595 H2CSH+ Thioformaldehyde, protonated h2csh+  
596 NH2OH hydroxylamine nh2oh  
597 NH2OH+ Hydroxylamine cation nh2oh+  
598 NH3O Ammonia Oxide nh3o  
599 H2POH Phosphinous acid h2poh  
600 H3PO Phosphine oxide h3po  
601 NH2SH Thiohydroxylamine nh2sh  
602 NH3S sulfidoazane nh3s  
603 H3O2+ hydrogen peroxide, protonated h3o2+  
604 CH3OH Methyl alcohol ch3oh  
605 CH3OH- Methyl alcohol anion ch3oh-  
606 CH3OH+ Methyl alcohol cation ch3oh+  
607 CH3SH Methanethiol ch3sh  
608 CH3SH+ Methanethiol cation ch3sh+  
609 SiH3OH silanol sih3oh  
610 CH3SeH Methane selenol ch3seh  
611 NH2OH2+ protonated hydroxylamine nh2oh2+  
612 NH3OH+ N-protonated hydroxylamine nh3oh+  
613 H2OH2O water dimer h2oh2o  
614 CH3OH2+ Methanol, protonated ch3oh2+  
615 CH3SH2+ protonated methylsulfide ch3sh2+  
616 H2ONH3 Water Ammonia Dimer h2onh3  
617 H5O2+ Dihydroxonium ion h5o2+  
618 LiF lithium fluoride lif  
619 LiCl lithium chloride licl  
620 LiCl- lithium chloride anion licl-  
621 LiCl+ lithium chloride cation licl+  
622 NaF sodium fluoride naf  
623 NaF- sodium fluoride anion naf-  
624 NaF+ sodium fluoride cation naf+  
625 KF Potassium Fluoride kf  
626 NaCl Sodium Chloride nacl  
627 NaCl- sodium chloride anion nacl-  
628 NaCl+ sodium chloride cation nacl+  
629 KCl Potassium Chloride kcl  
630 CuF Copper monofluoride cuf  
631 LiBr Lithium Bromide libr  
632 LiBr- lithium bromide anion libr-  
633 LiBr+ lithium bromide cation libr+  
634 CuCl Copper monochloride cucl  
635 NaBr Sodium Bromide nabr  
636 NaBr- sodium bromide anion nabr-  
637 NaBr+ sodium bromide cation nabr+  
638 KBr Potassium Bromide kbr  
639 LiI Lithium Iodide lii  
640 NaI Sodium Iodide nai  
641 KI Potassium Iodide ki  
642 LiF- lithium fluoride anion lif-  
643 LiF+ lithium fluoride cation lif+  
644 BeF Beryllium monofluoride bef  
645 BeF- Beryllium monofluoride anion bef-  
646 BeF+ Beryllium monofluoride cation bef+  
647 BeCl beryllium monochloride becl  
648 MgF Magnesium monofluoride mgf  
649 MgF- magnesium fluoride anion mgf-  
650 MgF+ magnesium fluoride cation mgf+  
651 CaF Calcium monofluoride caf  
652 MgCl magnesium monochloride mgcl  
653 MgCl- magnesium monochloride anion mgcl-  
654 MgCl+ magnesium monochloride cation mgcl+  
655 CaCl calcium monochloride cacl  
656 TiCl Titanium Monochloride ticl  
657 ZnF Zinc monofluoride znf  
658 ZnF- Zinc monofluoride anion znf-  
659 ZnF+ Zinc monofluoride cation znf+  
660 ZnCl Zinc monochloride zncl  
661 CaBr Calcium monobromide cabr  
662 BeCl- beryllium monochloride anion becl-  
663 BeCl+ beryllium monochloride cation becl+  
664 BF- Boron monofluoride anion bf-  
665 BF+ Boron monofluoride cation bf+  
666 AlF Aluminum monofluoride alf  
667 AlF- Aluminum monofluoride anion alf-  
668 AlF+ Aluminum monofluoride cation alf+  
669 BCl boron monochloride bcl  
670 BCl- boron monochloride anion bcl-  
671 BCl+ boron monochloride cation bcl+  
672 AlCl Aluminum monochloride alcl  
673 AlCl- aluminum monochloride anion alcl-  
674 AlCl+ aluminum monochloride cation alcl+  
675 ScF Scandium monofluoride scf  
676 BBr Boron monobromide bbr  
677 GaF Gallium monofluoride gaf  
678 GaF+ Gallium monofluoride cation gaf+  
679 AlBr Aluminum monobromide albr  
680 GaCl Gallium monochloride gacl  
681 GaCl+ Gallium monochloride cation gacl+  
682 AlI Aluminum monoiodide ali  
683 GaBr Gallium monobromide gabr  
684 CF Fluoromethylidyne cf  
685 CF- carbon monofluoride anion cf-  
686 CF+ carbon monofluoride cation cf+  
687 CCl carbon monochloride ccl  
688 CCl- carbon monochloride anion ccl-  
689 CCl+ carbon monochloride cation ccl+  
690 SiF silicon monofluoride sif  
691 SiF- silicon monofluoride anion sif-  
692 SiF+ silicon monofluoride cation sif+  
693 SiCl Clorosilylidyne sicl  
694 SiCl- silicon monochloride anion sicl-  
695 SiCl+ silicon monochloride cation sicl+  
696 CBr Carbon monobromide cbr  
697 GeF Germanium monofluoride gef  
698 GeF+ Germanium monofluoride cation gef+  
699 GeCl Germanium monochloride gecl  
700 GeCl+ Germanium monochloride cation gecl+  
701 SiBr Silicon monobromide sibr  
702 SiBr+ Silicon monobromide cation sibr+  
703 NF nitrogen fluoride nf  
704 NF- nitrogen monofluorine anion nf-  
705 NF+ nitrogen monofluoirde cation nf+  
706 NCl nitrogen monochloride ncl  
707 NCl- nitrogen monochloride anion ncl-  
708 NCl+ nitrogen monochloride cation ncl+  
709 PF phosphorus monofluoride pf  
710 PF- phosphorus monofluoride anion pf-  
711 PF+ phosphorus monofluoride cation pf+  
712 PCl phosphorus chloride pcl  
713 PCl- phosphorus monochloride anion pcl-  
714 PCl+ phosphorus monochloride cation pcl+  
715 AsF Arsenic monofluoride asf  
716 NBr nitrogen monobromide nbr  
717 AsCl Arsenic monochloride ascl  
718 PBr Phosphorus monobromide pbr  
719 SbF Antimony monofluoride sbf  
720 SbCl Antimony monochloride sbcl  
721 FO Oxygen monofluoride fo  
722 FO- flourine oxide anion fo-  
723 FO+ fluorine monoxide cation fo+  
724 ClO Monochlorine monoxide clo  
725 ClO- chlorine monoxide anion clo-  
726 ClO+ chlorine monoxide cation clo+  
727 SF Monosulfur monofluoride sf  
728 SF- sulfur monofluoride anion sf-  
729 SF+ sulfur monofluoride cation sf+  
730 SCl sulfur monochloride scl  
731 SCl- sulfur monochloride anion scl-  
732 SCl+ sulfur monochloride cation scl+  
733 BrO Bromine monoxide bro  
734 BrO- Bromine monoxide anion bro-  
735 BrO+ Bromine monoxide cation bro+  
736 SeF Selenium monofluoride sef  
737 SBr Sulfur monobromide radical sbr  
738 SBr+ Sulfur monobromide cation sbr+  
739 SeCl Selenium monochloride secl  
740 IO Iodine monoxide io  
741 SeBr Selenium monobromide sebr  
742 BrCl Bromine monochloride brcl  
743 F2- flourine diatomic anion f2-  
744 F2+ flourine diatomic cation f2+  
745 ClF Chlorine monofluoride clf  
746 ClF- clorine monofluoride anion clf-  
747 ClF+ clorine monofluoride cation clf+  
748 Cl2- chlorine diatomic anion cl2-  
749 Cl2+ chlorine diatomic cation cl2+  
750 BrF Bromine monofluoride brf  
751 BrF- bromine fluoride anion brf-  
752 BrF+ bromine fluoride cation brf+  
753 BrCl- bromine chloride anion brcl-  
754 BrCl+ bromine chloride cation brcl+  
755 IF Iodine monofluoride if  
756 Br2 Bromine diatomic br2  
757 Br2- bromine diatomic anion br2-  
758 Br2+ bromine diatomic cation br2+  
759 ICl Iodine monochloride icl  
760 IBr Iodine monobromide ibr  
761 I2 Iodine diatomic i2  
762 I2+ Iodine diatomic cation i2+  
763 HCF Fluoromethylene hcf  
764 HCCl Chloromethylene hccl  
765 HSiF fluorosilylene hsif  
766 HSiCl Chlorosilylene hsicl  
767 HSiBr monobromosilylene hsibr  
768 CHBr bromomethylene chbr  
769 HOF Hypofluorous acid hfo  
770 DOCl Hypochlorous acid-d docl  
771 HOCl hypochlorous acid hocl  
772 HOCl+ hypochlorous acid cation hocl+  
773 HOBr Hypobromous acid hobr  
774 HOBr+ Hypobromous acid cation hobr+  
775 HOI Hypoiodous acid hoi  
776 F2H+ Fluorine, protonated f2h+  
777 FHF Hydrogen difluoride fhf  
778 FHF- Hydrogen difluoride anion fhf-  
779 ClFH+ Chlorine fluoride, F-protonated clfh+  
780 FClH+ Chlorine fluoride, Cl-protonated fclh+  
781 Cl2H+ Chlorine, protonated cl2h+  
782 CH2Br bromomethyl radical ch2br  
783 CH2F fluoromethyl radical ch2f  
784 CH2F+ fluoromethyl cation ch2f+  
785 CH2Cl+ chloromethyl cation ch2cl+  
786 CH2Cl chloromethyl radical ch2cl  
787 NH2F monofluoroamine nh2f  
788 NH2Cl chloramine nh2cl  
789 H2F2 Hydrogen fluoride dimer h2f2  
790 CH3F+ methyl fluoride cation ch3f+  
791 CD3F methylfluoride-d3 cd3f  
792 CH3F Methyl fluoride ch3f  
793 CD3Cl methyl chloride d3 cd3cl  
794 CH3Cl Methyl chloride ch3cl  
795 CH3Cl+ Methyl chloride cation ch3cl+  
796 SiH3F monofluorosilane sih3f  
797 SiH3Cl chlorosilane sih3cl  
798 CH3Br methyl bromide ch3br  
799 GeH3F monofluorogermane geh3f  
800 GeH3Cl monochlorogermane geh3cl  
801 SiH3Br bromosilane sih3br  
802 CH3I methyl iodide ch3i  
803 SiH3I Silyl Iodide sih3i  
804 NH3Cl+ protonated monochloroammonia nh3cl+  
805 CH3ClH+ methyl chloride, protonated ch3clh+  
806 NH4Cl Ammonium chloride nh4cl  
807 LiNe+ Lithium Neon cation line+  
808 Ne2 Neon diatomic ne2  
809 Ne2+ Neon diatomic cation ne2+  
810 Ar2 Argon diatomic ar2  
811 Ar2+ Argon diatomic cation ar2+  
812 Li3 Lithium trimer li3  
813 Li3+ Lithium trimer cation li3+  
814 C3 carbon trimer c3  
815 C3+ carbon trimer cation c3+  
816 SiC2 Silicon dicarbide sic2  
817 C3H3 cyclopropenyl radical cpr  
818 C3H3 Propargyl radical propargyl  
819 C3H3- Propargyl anion c3h3-  
820 C3H3+ cyclopropenyl cation cpr+  
821 C3H3+ Propargyl cation c3h3+  
822 C3H4 cyclopropene cprop  
823 CH2CCH2 allene allene  
824 CH3CCH propyne propyne  
825 C3H5 Allyl radical allyl  
826 C3H5+ Allyl cation allyl+  
827 CH3CHCH 1-propenyl radical ch3chch  
828 Zn(CH3)2 dimethyl zinc dmz  
829 C3H6 Cyclopropane c3h6  
830 CH2CHCH3 Propene propene  
831 C3H7 n-Propyl radical npropyl  
832 C3H7+ cyclopropane, protonated c3h7+  
833 CH3CHCH3 Isopropyl radical isopropyl  
834 CH3CHCH3+ Isopropyl cation prop2yl+  
835 C3H8 Propane propane  
836 SiH2(CH3)2 dimethylsilane dms  
837 Si3H8 trisilane si3h8  
838 LiCN lithium cyanide licn  
839 NaCN Sodium Cyanide nacn  
840 KCN Potassium cyanide kcn  
841 CuCN Copper cyanide cucn  
842 ZnCN Zinc monocyanide zncn  
843 ZnNC Zinc isocyanide znnc  
844 AlCN Aluminum monocyanide alcn  
845 AlNC Aluminum isocyanide alnc  
846 CN2 3H-Diazirin-3-ylidene cn2  
847 CNN Diazocarbene cnn  
848 NCN Cyanoimidogen ncn  
849 N3 azide radical n3  
850 N3- azide anion n3-  
851 N3+ azide cation n3+  
852 HCCN cyanomethylene hccn  
853 HCNN diazomethyl radical hcnn  
854 HN3 hydrogen azide hn3  
855 HN3+ Hydrazoic acid cation hn3+  
856 HNCNH diiminomethane hncnh  
857 CH2N2 diazirine ch2n2  
858 CH2NN diazomethane ch2nn  
859 NH2CN cyanamide cyanamide  
860 HNNNH+ 1,2-Triazadienium n2h3+  
861 NH2NN+ hydrazoic acid, protonated nh2nn+  
862 CH3CN Acetonitrile ch3cn  
863 CH3CN- acetonitrile anion ch3cn-  
864 CH3CN+ Acetonitrile cation ch3cn+  
865 CH3NC methyl isocyanide ch3nc  
866 CHNCH2 2H-Azirine c157164  
867 CHNHCH 1H-Azirine chnhch  
868 H2CCNH Ethenimine ch2cnh  
869 H2CNCH methyleneaminomethylene ch2nch  
870 HCCNH2 Ethynamine hccnh2  
871 HCNCH2+ 2H-Azirine cation hcnch2+  
872 HNCNH2+ diiminomethane, protonated hncnh2+  
873 NCNH3+ Cyanamide, protonated ncnh3+  
874 NH2CNH+ cyanamide, cn protonated nh2cnh+  
875 NH3CN+ cyanamide, amine protonated nh3cn+  
876 CH2CHNH vinylazine ch2chnh  
877 CH3CHN methylmethaniminyl radical ch3chn  
878 NHCHNH2 aminomethanimine cn2h4  
879 C2H5N Aziridine c2h5n  
880 CH2CHNH2 aminoethene aminoethene  
881 CH2NCH3 N-methylmethanimine nmm  
882 CH3CHNH ethanimine ethanimine  
883 NH2BHNH2 diaminoborane nh2bhnh2  
884 C2H5NH+ Protonated Aziridine c2h5nh+  
885 C2H6N+ aziridine, protonated c2h6n+  
886 NH2CH2NH2 diaminomethane nh2ch2nh2  
887 CH3CH2NH2 Ethylamine etam  
888 CH3NHCH3 Dimethylamine ch3nhch3  
889 CH3PHCH3 dimethylphosphine ch3phch3  
890 NH2CH2NH3+ diaminoethane, protonated pdam  
891 (CH3)2NH2+ dimethylammonium cation dmam  
892 CH3CH2NH3+ ethylamine, protonated pea  
893 Li2O dilithium oxide li2o  
894 Li2O+ dilithium oxide cation li2o+  
895 Li2S dilithium sulfide li2s  
896 Na2O disodium monoxide na2o  
897 Na2S Sodium sulfide na2s  
898 LiO2 Lithium dioxide lio2  
899 NaO2 Sodium superoxide nao2  
900 CCO Dicarbon monoxide cco  
901 CNO- fulminate cno-  
902 NCO isocyanato radical nco  
903 NCO- cyanate nco-  
904 SCN thiocyanato radical scn  
905 SCN- thiocyanide anion scn-  
906 BO2 Boron dioxide bo2  
907 BO2- Boron dioxide anion bo2-  
908 BO2+ Boron dioxide cation bo2+  
909 N2O Nitrous oxide n2o  
910 N2O- Nitrous oxide anion n2o-  
911 N2O+ Nitrous oxide cation n2o+  
912 NNS Nitrogen sulfide nns  
913 PPO Phosphorus oxide phosphide ppo  
914 CO2- Carbon dioxide anion co2-  
915 CO2+ Carbon dioxide cation co2+  
916 OCS Carbonyl sulfide cos  
917 OCS+ Carbonyl sulfide cation cos+  
918 SiO2 silicon dioxide sio2  
919 CS2 Carbon disulfide cs2  
920 CS2- Carbon disulfide anion cs2-  
921 CS2+ Carbon disulfide cation cs2+  
922 TiO2 Titanium dioxide tio2  
923 SiS2 Silicon disulfide sis2  
924 GeO2 Germanium dioxide geo2  
925 OCSe Carbonyl selenide ocse  
926 SCSe Carbon sulfide selenide scse  
927 GeS2 Germanium disulfide ges2  
928 CSe2 Carbon diselenide cse2  
929 SCTe Carbon sulfide Telluride scte  
930 NO2 Nitrogen dioxide no2  
931 NO2- Nitrogen dioxide anion no2-  
932 NO2+ Nitrogen dioxide cation no2+  
933 NSO sulfinyl amidogen NSO  
934 PO2 Phosphorus dioxide po2  
935 PO2- Phosphorus dioxide anion po2-  
936 PO2+ Phosphorus dioxide cation po2+  
937 SNO Nitrogen oxide sulfide sno  
938 AsO2 Aresenic dioxide aso2  
939 O3 Ozone o3  
940 O3- Ozone anion o3-  
941 O3+ Ozone cation o3+  
942 SO2 Sulfur dioxide so2  
943 SO2- Sulfur dioxide anion so2-  
944 SO2+ Sulfur dioxide cation so2+  
945 SSO Disulfur monoxide sso  
946 S3 Sulfur trimer s3  
947 S3- Sulfur trimer anion s3-  
948 S3+ Sulfur trimer cation s3+  
949 SeO2 Selenium dioxide seo2  
950 SeO2+ Selenium dioxide cation seo2+  
951 TeO2 Tellurium Dioxide teo2  
952 HCCO ketenyl radical ketenyl  
953 CS2H+ Carbon disulfide, protonated cs2h+  
954 HCNO fulminic acid hcno  
955 HNCO Isocyanic acid hnco  
956 HOCN cyanic acid hocn  
957 HNCS Isothiocyanic acid hncs  
958 HSCN thiocyanic acid hscn  
959 HCO2- formate anion hco2-  
960 HNNO nitrosoazane hnno  
961 HNNO+ Nitrous oxide, N-protonated hnno+  
962 NNOH+ Nitrous Oxide, O-protonated nnoh+  
963 HCOO formate neutral radical hcoo  
964 HOCO Hydrocarboxyl radical hoco  
965 HOCO+ Hydrocarboxyl cation hoco+  
966 HNO2 Nitrous acid hno2  
967 HNO2+ nitrous acid cation hno2+  
968 O3H+ protonated ozone o3h+  
969 SO2H+ protonated sulfur dioxide so2h+  
970 C2H2O Oxirene oxirene  
971 CH2CO Ketene ch2co  
972 CH2CO+ Ketene cation ch2co+  
973 HCCOH ethynol hccoh  
974 CH2CS Thioketene ch2cs  
975 Be(OH)2 Beryllium hydroxide beo2h2  
976 Mg(OH)2 Magnesium dihydroxide h2mgo2  
977 NH2NO Nitrosamide nh2no  
978 CH2O2 Dioxirane diox  
979 H2COO Dioxymethyl radical h2coo  
980 H2COO+ dioxymethyl cation h2coo+  
981 HCOOH Formic acid ch2o2  
982 H2O3 Hydrogen trioxide h2o3  
983 HSSSH trisulfane hsssh  
984 NaOCH3 Sodium methoxide naoch3  
985 CH2BOH hydroxy(methylene)borane ch2boh  
986 BH3CO Borane carbonyl bh3co  
987 CH3BO Borane, methyloxo- ch3bo  
988 CH2CHO Vinyloxy radical ch2cho  
989 CH2COH+ ketene, protonated ch2coh+  
990 CH3CO Acetyl radical ch3co  
991 CH3CO- Acetyl anion ch3co-  
992 CH3CO+ acetyl cation ch3co+  
993 CH2NOH formaldoxime ch2noh  
994 CH3NO nitrosomethane ch3no  
995 CHONH2 formamide formamide  
996 CNOH3 1,2-oxaziridine cnoh3  
997 HOCHNH hydroxymethylimine hochnh  
998 CHSNH2 thioformamide chsnh2  
999 NHCHSH Methanimidothioic acid nhchsh  
1000 CH2OOH CH2OOH radical ch2ooh  
1001 CH3OO methylperoxy radical ch3oo  
1002 CH3OO- methylperoxy anion ch3oo-  
1003 CH3OO+ methylperoxy cation ch3oo+  
1004 C2H4O Ethylene oxide c2h4o  
1005 C2H4O+ ethylene oxide cation c2h4o+  
1006 CH2CHOH ethenol ch2choh  
1007 CH3CHO Acetaldehyde ch3cho  
1008 CH3CHO+ acetaldehyde cation ch3cho+  
1009 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1010 C2H4S Thiirane thiirane  
1011 CH2CHSH Ethenethiol ch2chsh  
1012 CH3CHS Thioacetaldehyde ch3chs  
1013 H2CONH2+ protonated formamide h2conh2+  
1014 NH2CHOH+ Formamide, O-protonated nh2choh+  
1015 NH3CHO+ Formamide, N-Protonated nh3cho+  
1016 CH2(OH)2 methanediol ch2o2h2  
1017 CH3OOH Methyl peroxide ch3ooh  
1018 CH3SSH Hydrogen methyl disulfide ch3ssh  
1019 HSCH2SH Methanedithiol ch4s2  
1020 H2OH2CO water formaldehyde dimer h2oh2co  
1021 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1022 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1023 CH3CH2O Ethoxy radical ethoxy  
1024 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1025 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1026 CH3OCH2 methoxymethyl radical ch3och2  
1027 NH2CH2OH aminomethanol nh2ch2oh  
1028 CH3CH2OH Ethanol etoh  
1029 CH3OCH3 Dimethyl ether meome  
1030 CH3CH2SH ethanethiol etsh  
1031 CH3SCH3 Dimethyl sulfide mesme  
1032 CH3SCH3+ dimethyl sulfide cation mesme+  
1033 CH3SeCH3 dimethylselenide dmse  
1034 CH3OHH2O methanol water dimer ch3ohh2o  
1035 H2OCH3OH water methanol dimer h2och3oh  
1036 CuF2 Copper difluoride cuf2  
1037 ZnF2 Zinc difluoride znf2  
1038 CNF iso cyanogen fluoride cnf  
1039 FCN Cyanogen fluoride fcn  
1040 ClCN chlorocyanogen clcn  
1041 BrCN Cyanogen bromide brcn  
1042 ICN Cyanogen iodide icn  
1043 FBO Boron monofluoride monoxide fbo  
1044 BeF2 Beryllium fluoride bef2  
1045 MgF2 Magnesium fluoride mgf2  
1046 BeCl2 Beryllium chloride becl2  
1047 MgCl2 Magnesium dichloride mgcl2  
1048 CaCl2 Calcium Chloride cacl2  
1049 ZnCl2 Zinc dichloride zncl2  
1050 BeBr2 Beryllium bromide bebr2  
1051 CaBr2 Calcium dibromide cabr2  
1052 CaF2 Calcium difluoride caf2  
1053 FCO Carbonyl fluoride fco  
1054 FCO+ Carbonyl fluoride cation fco+  
1055 ClCO carbonyl monochloride clco  
1056 BF2 Boron difluoride radical bf2  
1057 FNO Nitrosyl fluoride fno  
1058 ClNO Nitrosyl chloride clno  
1059 FNS Thionitrosyl fluoride fns  
1060 FSN Thiazyl fluoride fsn  
1061 OPCl Phosphorus oxychloride opcl  
1062 BrNO Nitrosyl bromide brno  
1063 INO Nitrosyl iodide ino  
1064 CF2 Difluoromethylene cf2  
1065 CF2- Difluoromethylene anion cf2-  
1066 CF2+ Difluoromethylene cation cf2+  
1067 CFCl chlorofluoromethylene cfcl  
1068 SiF2 Silicon difluoride sif2  
1069 SiF2+ Silicon difluoride cation sif2+  
1070 CCl2 dichloromethylene ccl2  
1071 CCl2- dichloromethylene anion ccl2-  
1072 CCl2+ dichloromethylene cation ccl2+  
1073 SiCl2 Dichlorosilylene sicl2  
1074 GeF2 Germanium difluoride gef2  
1075 GeCl2 Germanium dichloride gecl2  
1076 CBr2 dibromomethylene cbr2  
1077 FOO Dioxygen monofluoride radical foo  
1078 FOO+ Fluorine dioxide cation foo+  
1079 ClOO chloroperoxy radical cloo  
1080 ClOO+ chloroperoxy cation cloo+  
1081 OClO Chlorine dioxide oclo  
1082 OClO- Chlorine dioxide anion oclo-  
1083 OClO+ Chlorine dioxide cation oclo+  
1084 ClSO Sulfur chloride oxide clso  
1085 ClS2 Sulfur chloride cls2  
1086 BrOO Bromine dioxide broo  
1087 OBrO Bromine dioxide radical obro  
1088 NF2 Difluoroamino radical nf2  
1089 NF2+ Difluoroamino cation nf2+  
1090 PF2 Phosphorus difluoride pf2  
1091 PF2+ Phosphorus difluoride cation pf2+  
1092 FClO chlorosyl fluoride fclo  
1093 F2O Difluorine monoxide f2o  
1094 ClOF Chlorine hypofluorite clof  
1095 SF2 sulfur difluoride sf2  
1096 SF2- sulfur difluoride anion sf2-  
1097 SF2+ sulfur difluoride cation sf2+  
1098 Cl2O Dichlorine monoxide cl2o  
1099 SCl2 Sulfur dichloride scl2  
1100 SeF2 Selenium difluoride sef2  
1101 BrOCl Bromine hypochlorite brocl  
1102 SeCl2 Selenium Dichloride secl2  
1103 SBr2 Sulfur dibromide sbr2  
1104 SeBr2 Selenium dibromide sebr2  
1105 BrOBr Bromine oxide brobr  
1106 F3- trifluoride anion f3-  
1107 Cl3- trichloride anion cl3-  
1108 Br3- tribromide anion br3-  
1109 I3- triiodide i3-  
1110 SFCl Sulfur chloride fluoride sfcl  
1111 HCCF Fluoroacetylene hccf  
1112 HCCF+ fluoroacetylene cation hccf+  
1113 HCCCl Chloroacetylene hcccl  
1114 HCCBr bromoacetylene hccbr  
1115 HFCO formyl fluoride hfco  
1116 HFCO+ formyl fluoride cation hfco+  
1117 COHCl Formyl chloride cohcl  
1118 COHBr Formyl bromide cohbr  
1119 BHF2 Difluoroborane bhf2  
1120 BHCl2 Borane, dichloro- bhcl2  
1121 CHCl2 dichloromethyl radical chcl2  
1122 CHF2 difluoromethyl radical chf2  
1123 CHF2+ difluoromethyl cation chf2+  
1124 CHFCl Chlorofluoromethyl radical chfcl  
1125 CHFCl+ Chlorofluoromethyl cation chfcl+  
1126 CHCl2+ dichloromethyl cation chcl2+  
1127 CHBr2 dibromomethyl radical chbr2  
1128 HOClO Chlorous acid hoclo  
1129 NHF2 difluoramine nhf2  
1130 NHCl2 dichloroamine nhcl2  
1131 CH2F2 Methane, difluoro- ch2f2  
1132 CH2FCl fluorochloromethane ch2fcl  
1133 SiH2F2 difluorosilane sih2f2  
1134 CH2Cl2 Methylene chloride ch2cl2  
1135 CH2BrF Methane, bromofluoro- ch2fbr  
1136 CH2BrCl Methane, bromochloro- ch2clbr  
1137 CH2FI fluoroiodomethane ch2fi  
1138 CH2Br2 dibromomethane ch2br2  
1139 CH2ClI chloroiodomethane ch2cli  
1140 CH2BrI bromoiodomethane ch2bri  
1141 CH2I2 Diiodomethane ch2i2  
1142 SiH2Cl2 dichlorosilane sih2cl2  
1143 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1144 CH2CHF Ethene, fluoro- ch2chf  
1145 CH2CHF+ fluoroethene cation ch2chf+  
1146 C2H3Cl Ethene, chloro- ch2chcl  
1147 C2H3Br vinyl bromide c2h3br  
1148 C2H3I Vinyl iodide c2h3i  
1149 CH2FOH fluoromethanol ch2foh  
1150 CH3OCl methyl hypochlorite ch3ocl  
1151 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1152 CHClCH3 1-chloroethyl radical chclch3  
1153 C2H5F fluoroethane c2h5f  
1154 CH3CH2Cl Ethyl chloride c2h5cl  
1155 CH3SiFH2 fluoromethylsilane ch3sifh2  
1156 C2H5Br Ethyl bromide etbr  
1157 C2H5I Ethyl iodide c2h5i  
1158 KrF2 Krypton difluoride krf2  
1159 XeF2 Xenon difluoride xef2  
1160 B4H10 Tetraborane(10) b4h10  
1161 C4 Carbon tetramer c4  
1162 C4+ Carbon tetramer cation c4+  
1163 C4H2 Diacetylene c4h2  
1164 C4H2+ diacetlyene cation c4h2+  
1165 C2H3CCH 1-Buten-3-yne c2h3cch  
1166 C4H4 cyclobutadiene cbd  
1167 C4H4 Tetrahedrane c4h4  
1168 H2CCCCH2 Butatriene h2cccch2  
1169 C4H6 1-Methylcyclopropene c3100047  
1170 C4H6 Cyclobutene c822355  
1171 C4H6 Methylenecyclopropane c6142730  
1172 CH2CCHCH3 1,2-Butadiene butad12  
1173 CH2CHCHCH2 1,3-Butadiene c106990  
1174 CH3CCCH3 2-Butyne c503173  
1175 CHCCH2CH3 1-Butyne c107006  
1176 CH3CHCHCH2 methylallyl radical c4h7  
1177 C4H8 methylcyclopropane mcp  
1178 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1179 CH2CHCH2CH3 1-Butene bute1  
1180 CH3CHCHCH3 2-Butene, (E)- bute2e  
1181 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1182 B(CH3)3 trimethylborane bme3  
1183 Al(CH3)3 trimethyl aluminum tma  
1184 C(CH3)3 Tert-butyl radical tbutyl  
1185 CH2CH(CH3)2 Isobutyl radical isobutyl  
1186 CH3CHCH2CH3 2-Butyl radical butyl2  
1187 CH3CH(CH3)CH3 Isobutane isobutane  
1188 CH3CH2CH2CH3 Butane butane  
1189 SiH(CH3)3 trimethylsilane trimsi  
1190 Li3N trilithium nitride li3n  
1191 C2N2 Cyanogen c2n2  
1192 C2N2+ Cyanogen cation c2n2+  
1193 P4 Phosphorus tetramer p4  
1194 As4 Arsenic tetramer as4  
1195 HCCCN Cyanoacetylene hcccn  
1196 HCCCN+ Cyanoacetylene cation hcccn+  
1197 H2CNCN cyanamide, methylene ch2ncn  
1198 HNCCNH Ethenediimine hnccnh  
1199 C3H3N acrylonitrile ch2chcn  
1200 C3H3N+ acrylonitrile cation ch2chcn+  
1201 CH3N3 methyl azide ch3n3  
1202 NH2CCNH2 Diaminoacetylene daa  
1203 NH2CH2CN Aminoacetonitrile aan  
1204 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1205 C2H5CN ethyl cyanide c2h5cn  
1206 CH5N3 Guanidine guanidine  
1207 C4H6 Bicyclo[1.1.0]butane c157335  
1208 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1209 H2NCHCHNH2 diaminoethylene dae  
1210 CH6N3+ guanidinium ch6n3+  
1211 C3H7N Cyclopropylamine cpram  
1212 CH7N3 triaminomethane tam  
1213 C3H7N Azetidine azet  
1214 C4H8 cyclobutane cbutane  
1215 C2H8N2 Ethylenediamine ethdiam  
1216 CH3NHNHCH3 dimethyl hydrazine dmh  
1217 CH3CH(NH2)CH3 2-Propanamine pram2  
1218 N(CH3)3 Trimethylamine trimeam  
1219 NH2CH2CH2CH3 1-Propanamine pram1  
1220 P(CH3)3 trimethylphosphine tmp  
1221 N(SiH3)3 trisilylamine tsa  
1222 As(CH3)3 trimethyl arsine tmas  
1223 (CH3)3NH+ protonated trimethyl amine ptma  
1224 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1225 Li2O2 dilithium dioxide li2o2  
1226 Na2O2 disodium dioxide na2o2  
1227 K2O2 dipotassium dioxide k2o2  
1228 C3O Tricarbon monoxide c3o  
1229 B2O2 Diboron dioxide b2o2  
1230 ONNO NO dimer onno  
1231 S2N2 Disulfur dinitride s2n2  
1232 CO3 Carbon trioxide co3  
1233 CO3-- carbonate co3--  
1234 CS3-- Carbonotrithioate cs3--  
1235 NO3 Nitrogen trioxide no3  
1236 NO3- nitrate anion no3-  
1237 NO3+ nitrogen trioxide cation no3+  
1238 SO3 Sulfur trioxide so3  
1239 SO3- Sulfur trioxide anion so3-  
1240 SO3-- Sulfate dianion so3--  
1241 SO3+ Sulfur trioxide cation so3+  
1242 SeO3 selenium trioxide seo3  
1243 S4 Sulfur tetramer s4  
1244 TeO3 Tellurium trioxide teo3  
1245 HCO3- bicarbonate anion hco3-  
1246 HNO3 Nitric acid hno3  
1247 HSO3 Hydroxysulfonyl radical hso3  
1248 NH2NO2 nitramide nh2no2  
1249 C2H2CO cyclopropenone c2h2co  
1250 C3H2O Propadienal c3h2o  
1251 HCCCHO 2-propynal hcccho  
1252 C2H2O2 Ethanedial c2h2o2  
1253 C2H2O2+ Ethanedial cation c2h2o2+  
1254 H2CO3 Carbonic acid h2co3  
1255 H2CS3 thiocarbonic acid h2cs3  
1256 H2NO3+ Nitric Acid, Protonated h2no3+  
1257 H2SO3 Sulfurous acid h2so3  
1258 C2H3NO Nitrosoethylene c2h3no  
1259 CH3NCO methylisocyante ch3nco  
1260 HOCH2CN cyanomethanol hoch2cn  
1261 CH3COO- acetate anion ch3coo-  
1262 CH3NO2 Methane, nitro- ch3no2  
1263 CH3ONO Methyl nitrite ch3ono  
1264 NH2COOH Carbamic acid nh2cooh  
1265 H3BO3 Boric acid h3bo3  
1266 H3AlO3 Aluminum hydroxide h3alo3  
1267 H3CO3+ carbonic acid, protonated h3co3+  
1268 C3H4O 2-Propyn-1-ol c107197  
1269 C3H4O allenol c9000071  
1270 C3H4O Cyclopropanone cpone  
1271 C3H4O Methylketene c6004440  
1272 CH2CHCHO Acrolein c3h4o  
1273 NH2CONH2 Urea urea  
1274 NH2CONH2+ Urea cation urea+  
1275 NH2CSNH2 Thiourea thiourea  
1276 C2H4O2 1,3-dioxetane c2h4o2  
1277 CH3COOH Acetic acid ch3cooh  
1278 CH3OCHO methyl formate ch3ocho  
1279 CHOCH2OH hydroxy acetaldehyde haa  
1280 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1281 NH3COOH+ protonated Carbamic acid nh3cooh+  
1282 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1283 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1284 HCOOHH2O Formic acid water dimer hcoohh2o  
1285 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1286 CH3COCH2 Acetonyl radical ch3coch2  
1287 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1288 CH3C(OH)=NH Ethaninidic acid eia  
1289 CH3CHNOH Acetaldoxime acetaldoxime  
1290 CH3CONH2 Acetamide acetamide  
1291 HCONHCH3 N-methylformamide nmfa  
1292 CH3CSNH2 Ethanethioamide ch3csnh2  
1293 CH5N2O+ urea, N-protonated ch4n2o+  
1294 H2NCOHNH2+ urea, protonated ureah+  
1295 C2H5OO ethylperoxy radical c2h5oo  
1296 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1297 C3H5OH Cyclopropanol cproh  
1298 C3H6O 2-Propen-1-ol c107186  
1299 C3H6O Acetone enol enol  
1300 C3H6O Oxetane oxetane  
1301 C3H6O Propylene oxide prox  
1302 CH3CH2CHO Propanal propanal  
1303 CH3COCH3 Acetone acetone  
1304 CH3COCH3- acetone anion ch3coch3-  
1305 C3H6S Thietane thietane  
1306 C3H6S Thiirane, methyl- methiirane  
1307 CH3CSCH3 Thioacetone ch3csch3  
1308 C2H6O2 1,2-Ethanediol ethdiol  
1309 CH3OOCH3 dimethylperoxide dmp  
1310 CH3SOCH3 Dimethyl sulfoxide dmso  
1311 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1312 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1313 CH3COHCH3+ acetone, protonated acetoneh+  
1314 HOCH2CH2NH2 monoethanolamine mea  
1315 C3H7OH 1-Propanol proh  
1316 CH3CHOHCH3 Isopropyl alcohol isoproh  
1317 CH3OC2H5 Ethane, methoxy- etome  
1318 C3H7SH 1-Propanethiol prsh  
1319 CH3CHSHCH3 2-Propanethiol isoprsh  
1320 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1321 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1322 Li2F2 Lithium fluoride dimer li2f2  
1323 Na2F2 Sodium Fluoride Dimer na2f2  
1324 Na2Cl2 Disodium dichloride na2cl2  
1325 C2F2 difluoroacetylene c2f2  
1326 C2Cl2 dichloroacetylene c2cl2  
1327 C2Cl2+ dichloroacetylene cation c2cl2+  
1328 FNO2 Nitryl fluoride fno2  
1329 FONO Nitrosyl hypofluorite fono  
1330 ClNO2 Nitryl chloride clno2  
1331 ClONO chlorine nitrite clono  
1332 BrONO Bromine nitrite brono  
1333 N2F2 (Z)-Difluorodiazene n2f2_z  
1334 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1335 CF2O Carbonic difluoride f2co  
1336 CF2O+ Carbonic difluoride cation f2co+  
1337 COFCl Carbonic chloride fluoride cofcl  
1338 CCl2O Phosgene cl2co  
1339 Cl2CS Thiophosgene cl2cs  
1340 COBr2 Carbonic dibromide cobr2  
1341 BF3- Borane, trifluoro- anion bf3-  
1342 BF3+ boron trifluoride cation bf3+  
1343 BClF2 Chlorodifluoroborane bclf2  
1344 AlF2Cl Aluminum chloride difluoride alclf2  
1345 ScF3 Scandium trifluoride ScF3  
1346 AlFCl2 Aluminum dichloride fluoride alcl2f  
1347 BCl3 Borane, trichloro- bcl3  
1348 BCl3+ Boron Trichloride cation bcl3+  
1349 GaF3 Gallium trifluoride gaf3  
1350 AlCl3 Aluminum trichloride alcl3  
1351 GaCl3 Gallium trichloride gacl3  
1352 BBr3 Boron tribromide bbr3  
1353 AlBr3 Aluminum Bromide albr3  
1354 ClO3 Chlorine trioxide clo3  
1355 ClO3- chlorate anion clo3-  
1356 BrO3- Bromate anion bro3-  
1357 CF3 Trifluoromethyl radical cf3  
1358 CF3- Trifluoromethyl anion cf3-  
1359 CF3+ Trifluoromethyl cation cf3+  
1360 CF2Cl difluorochloromethyl radical cf2cl  
1361 SiF3 Silicon trifluoride radical sif3  
1362 SiF3+ Silicon trifluoride cation sif3+  
1363 CFCl2 dichlorofluoromethyl radical cfcl2  
1364 CCl3 Trichloromethyl radical ccl3  
1365 CCl3- Trichloromethyl anion ccl3-  
1366 CCl3+ Trichloromethyl cation ccl3+  
1367 SiCl3 trichlorosilyl radical sicl3  
1368 SiCl3+ trichlorosilyl cation sicl3+  
1369 CBr3 tribromomethyl radical cbr3  
1370 FOOF Perfluoroperoxide foof  
1371 ClO2F Chloryl fluoride clo2f  
1372 F2SO Thionyl Fluoride f2so  
1373 ClOOCl Dichlorine dioxide cloocl  
1374 FSSF Difluorodisulfane fssf  
1375 S2F2 Thio-thionyl fluoride s2f2  
1376 SOCl2 thionyl chloride socl2  
1377 SSCl2 Thiothionyl chloride sscl2  
1378 SeOCl2 selenium oxychloride seocl2  
1379 NF3 Nitrogen trifluoride nf3  
1380 NF3- Nitrogen trifluoride anion nf3-  
1381 NF3+ Nitrogen trifluoride cation nf3+  
1382 PF3 Phosphorus trifluoride pf3  
1383 NCl3 nitrogen trichloride ncl3  
1384 AsF3 Arsenic trifluoride asf3  
1385 PCl3 Phosphorus trichloride pcl3  
1386 SbF3 Antimony Trifluoride sbf3  
1387 AsCl3 Arsenous trichloride ascl3  
1388 SbCl3 Antimony Trichloride sbcl3  
1389 NBr3 Nitrogen Tribromide nbr3  
1390 PBr3 Phosphorus tribromide pbr3  
1391 AsBr3 Arsenic tribromide asbr3  
1392 NI3 Nitrogen triiodide ni3  
1393 PI3 Phosphorus triiodide pi3  
1394 ClSSCl Disulfur dichloride s2cl2  
1395 SF3 Sulfur trifluoride sf3  
1396 ClF3 Chlorine trifluoride clf3  
1397 BrF3 Bromine trifluoride brf3  
1398 IF3 iodone trifluoride if3  
1399 HClO3 Chloric Acid hclo3  
1400 CHF3 Methane, trifluoro- chf3  
1401 CHF2Cl difluorochloromethane chf2cl  
1402 SiHF3 trifluorosilane sihf3  
1403 CHFCl2 fluorodichloromethane chfcl2  
1404 CDCl3 trichloromethane-d cdcl3  
1405 CHCl3 Chloroform chcl3  
1406 CHBrF2 Methane, bromodifluoro- chbrf2  
1407 SiHCl3 Trichlorosilane sihcl3  
1408 CHFClBr fluorochlorobromomethane chfclbr  
1409 CHBrCl2 Methane, bromodichloro- chbrcl2  
1410 CHF2I difluoroiodomethane chf2i  
1411 CHBr2F dibromofluoromethane chbr2f  
1412 CHFClI fluorochloroiodomethane chfcli  
1413 CHCl2I dichloroiodomethane chcl2i  
1414 CHClBr2 Methane, dibromochloro- chclbr2  
1415 CHBr3 bromoform chbr3  
1416 CHI3 Iodoform chi3  
1417 NF3H+ protonated nitrogen trifluoride nf3h+  
1418 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1419 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1420 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1421 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1422 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1423 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1424 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1425 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1426 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1427 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1428 C2H2Br2 1,1-dibromoethene c2h2br2  
1429 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1430 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1431 CH2FCHO Fluoroacetaldehyde ch2fcho  
1432 CH3COF Acetyl fluoride ch3cof  
1433 CH2ClCHO chloroacetaldehyde ch2clcho  
1434 CH3COCl Acetyl Chloride ch3cocl  
1435 C2H4F2 1,2-difluoroethane c2h4f2  
1436 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1437 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1438 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1439 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1440 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1441 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1442 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1443 CH2CFCH3 2-fluoropropene 2fpro  
1444 CH2CHCH2F Allyl Fluoride allylf  
1445 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1446 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1447 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1448 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1449 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1450 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1451 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1452 CH2FCH2CH3 1-Fluoropropane prf1  
1453 CH3CHFCH3 2-Fluoropropane prf2  
1454 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1455 CH3CHClCH3 Propane, 2-chloro- prcl2  
1456 CH3CH2CH2Br n-propyl bromide prbr  
1457 CH3CHBrCH3 i-propyl bromide iprbr  
1458 C3H9O+ trimethyl oxonium cation c3h9o+  
1459 B5H9 pentaborane9 b5h9  
1460 C5H4 pentatetraene ptrene  
1461 C5H5 cyclopentadienyl radical c5h5  
1462 C5H5- cylopentadienyl anion c5h5-  
1463 C5H6 1,3-Cyclopentadiene c542927  
1464 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1465 C5H6 3-Penten-1-yne, (E)- c2004695  
1466 C5H6 3-Penten-1-yne, (Z)- c1574409  
1467 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1468 C5H6 Cyclopropylacetylene c6746947  
1469 C5H6 Propellane propellane  
1470 C5H7 1,3-pentadienyl radical pdyl  
1471 C5H7 cyclopentenyl radical cpyl  
1472 C5H8 1,2-Butadiene, 3-methyl- c598254  
1473 C5H8 1,2-Pentadiene c591957  
1474 C5H8 1,3-Butadiene, 2-methyl- c78795  
1475 C5H8 1,3-Pentadiene, (E)- c2004708  
1476 C5H8 1,3-Pentadiene, (Z)- c1574410  
1477 C5H8 1,4-Pentadiene c591935  
1478 C5H8 1-pentyne a1pentyne  
1479 C5H8 2,3-Pentadiene c591968  
1480 C5H8 Bicyclo[1.1.1]pentane bcp  
1481 C5H8 Cyclobutane, methylene- c1120565  
1482 C5H8 Cyclopentene c142290  
1483 C5H8 Ethenylcyclopropane c693867  
1484 CH3CCCH2CH3 2-Pentyne 2pentyne  
1485 C5H10 1-Butene, 2-methyl- c563462  
1486 C5H10 2-Butene, 2-methyl- c513359  
1487 C5H10 2-Pentene, (E)- c646048  
1488 C5H10 2-Pentene, (Z)- c627203  
1489 C5H10 Cyclopentane c287923  
1490 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1491 CH2CHCH2CH2CH3 1-pentene pentene  
1492 C5H11 2-Methylbut-2-yl radical c4348350  
1493 C5H12 Butane, 2-methyl- buta2  
1494 C5H12 Pentane pentane  
1495 C5H12 Propane, 2,2-dimethyl- neopentane  
1496 Si(CH3)4 tetramethylsilane tms  
1497 N2O3 Dinitrogen trioxide n2o3  
1498 C3H2N2 Malononitrile c3h2n2  
1499 CH2N4 1H-Tetrazole 1htz  
1500 C3H3N2 imidazolyl radical im  
1501 C3H3N2- imidizolyl anion im-  
1502 C2H3N3 1H-1,2,4-Triazole c288880  
1503 C4H4N pyrrolide radical c4h4n  
1504 C4H4N- pyrrolide anion c4h4n-  
1505 C3H4N2 1H-Imidazole 1himidaz  
1506 C3H4N2 1H-Pyrazole 1hpyraz  
1507 C3H4N2 2H-Imidazole imid2h  
1508 C3H4N2 4H-Imidazole imid4h  
1509 C4H5N (E)-2-Butenenitrile c627269  
1510 C4H5N (Z)-2-Butenenitrile c1190767  
1511 C4H5N 2H-pyrrole pyrrole2  
1512 C4H5N 3H-pyrrole pyrrole3  
1513 C4H5N Cyclopropanecarbonitrile c5500210  
1514 C4H5N Pyrrole pyrrole  
1515 CH2CHCH2CN Allylcyanide ch2chch2cn  
1516 C4H6N+ pyrrole, alpha-protonated appyr  
1517 C4H6N+ pyrrole, beta-protonated bppyr  
1518 C4H6N+ pyrrole, protonated ppyr  
1519 C3H6N2 3-Aminopropionitrile c151188  
1520 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1521 CH3CH2CH2CN Butanenitrile c109740  
1522 C5H8 Bicyclo[2.1.0]pentane c185944  
1523 C5H8 Spiropentane c157404  
1524 C4H9N Cyclobutylamine cbam  
1525 C4H9N Pyrrolidine pyrrolidine  
1526 C3H10N2 1,2-Diaminopropane diampr12  
1527 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1528 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1529 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1530 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1531 NH(C2H5)2 diethylamine dea  
1532 NC4H12+ tetramethyl ammonium cation nc4h12+  
1533 C3O2 Carbon suboxide c3o2  
1534 C3O2+ Carbon suboxide cation c3o2+  
1535 B2O3 diboron trioxide b2o3  
1536 MgCO3 Magnesium Carbonate mgco3  
1537 BeCO3 Beryllium Carbonate beco3  
1538 CaCO3 Calcium Carbonate caco3  
1539 ONONO Nitrosyl nitrite onono  
1540 PO4--- phosphate po4---  
1541 SO4-- sulfate so4--  
1542 HOONO2 peroxy nitric acid hoono2  
1543 HSO4- bisulfate anion hso4-  
1544 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1545 C3H2O2 Propiolic acid c3h2o2  
1546 CHOCOOH oxo acetic acid oaa  
1547 CHOOCHO diformyl ether choocho  
1548 H2SO4 Sulfuric acid h2so4  
1549 H2SeO4 Selenic acid h2seo4  
1550 C3H3NO Isoxazole isox  
1551 C3H3NO Oxazole oxazole  
1552 C3H3NS Thiazole thiazole  
1553 CH3C(O)OO acetyl peroxy radical ch3coo2  
1554 CH3NO3 Methyl nitrate ch3no3  
1555 H3PO4 Phosphoric Acid h3po4  
1556 C4H4O Furan furan  
1557 C4H4O+ Furan cation furan+  
1558 CH3COCCH 3-butyn-2-one c1423605  
1559 C4H4S Thiophene furans  
1560 C4H4Se selenophene c4h4se  
1561 C3H4O2 β–Propiolactone beta  
1562 C3H4O2 2-Propenoic acid propenoic2  
1563 C3H4O2 Methyl glyoxal megly  
1564 C3H4O2 propanedial propanedial  
1565 C3H4O2 propenalol propenalol  
1566 HOCHCCHOH allenediol aldiol  
1567 C2H4O3 1,2,3-trioxolane c2h4o3  
1568 C2H4O3 trioxolane124 triox  
1569 HOCH2COOH Hydroxyacetic acid hac  
1570 CH2CHCONH2 Acrylamide c79061  
1571 CH3OCH2CN Methoxyacetonitrile c1738369  
1572 CH5N3S Hydrazinecarbothioamide c79196  
1573 H2NCH2COOH Glycine glycine  
1574 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1575 C4H6O cis-2-butenal butenal2c  
1576 C4H6O Cyclobutanone cbutone  
1577 C4H6O Furan, 2,3-dihydro- furan23h  
1578 C4H6O Furan, 2,5-dihydro- furan25h  
1579 CH2CHOCHCH2 Vinyl ether vinylether  
1580 CHOCHCHCH3 2-Butenal butenal2  
1581 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1582 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1583 CH2CHSCHCH2 Divinyl sulfide divis  
1584 C2H6N2O Urea, methyl- c598505  
1585 C3H6O2 1,3-Dioxolane dioxolane  
1586 CH3CH2COOH Propanoic Acid propanoic  
1587 CH3COOCH3 methyl acetate aame  
1588 HCOOC2H5 Ethyl formate faee  
1589 C2H6O2S Dimethyl sulfone c67710  
1590 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1591 C3H7NO dimethylformamide dmf  
1592 C3H7NO Propanamide propanam  
1593 C2H3OC2H5 Ethene, ethoxy- c109922  
1594 C4H8O Cyclobutanol c2919235  
1595 C4H8O Furan, tetrahydro- thf  
1596 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1597 CH3COCH2CH3 2-Butanone buta2one  
1598 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1599 CHOCH2CH2CH3 Butanal butanal  
1600 C4H8S Thiophene, tetrahydro- tht  
1601 C3H8O2 1,3-Propanediol c504632  
1602 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1603 C3H8O2 Methane, dimethoxy- c109875  
1604 C3H8O2 Propylene glycol c57556  
1605 C3H8S2 1,3-Propanedithiol c109808  
1606 C4H10O 1-Butanol butanol1  
1607 C4H10O 1-Propanol, 2-methyl- c78831  
1608 C4H10O 2-Butanol, (.+/-.)- butanol2  
1609 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1610 C4H10O Ethoxy ethane etoet  
1611 C4H10O Methyl propyl ether meopr  
1612 C4H10O Propane, 2-methoxy- c598538  
1613 C4H10O+ 1-Butanol cation butanol1+  
1614 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1615 C2H5SC2H5 Diethyl sulfide etset  
1616 C4H9SH 1-Butanethiol bush  
1617 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1618 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1619 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1620 FNO3 Fluorine nitrate fno3  
1621 ClONO2 Chlorine nitrate clono2  
1622 BrONO2 Bromine nitrate brono2  
1623 TiCl4 Titanium tetrachloride ticl4  
1624 ClO4- perchlorate anion clo4-  
1625 BF4- tetrafluoroboron anion bf4-  
1626 ClFO3 Perchloryl fluoride clfo3  
1627 SO2F2 Sulfuryl fluoride so2f2  
1628 SO2Cl2 Sulfuryl chloride so2cl2  
1629 F3NO Nitrogen trifluoride oxide f3no  
1630 F3PO Phosphoryl fluoride pf3o  
1631 Cl3PO Phosphoryl chloride pcl3o  
1632 CF4 Carbon tetrafluoride cf4  
1633 CF3Cl Methane, chlorotrifluoro- cf3cl  
1634 SiF4 Silicon tetrafluoride sif4  
1635 CF2Cl2 difluorodichloromethane cf2cl2  
1636 TiF4 Titanium tetrafluoride tif4  
1637 CFCl3 Trichloromonofluoromethane cfcl3  
1638 CF3Br Bromotrifluoromethane cf3br  
1639 GeF4 Germanium tetrafluoride gef4  
1640 CCl4 Carbon tetrachloride ccl4  
1641 CCl4+ Carbon tetrachloride cation ccl4+  
1642 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1643 SiCl4 Silane, tetrachloro- sicl4  
1644 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1645 CF3I trifluoroiodomethane cf3i  
1646 CBrCl3 Methane, bromotrichloro- cbrcl3  
1647 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1648 GeCl4 Germanium Tetrachloride gecl4  
1649 CBr2ClF dibromochlorofluoromethane cbr2clf  
1650 CBr2Cl2 dibromodichloromethane cbr2cl2  
1651 CCl3I trichloroiodomethane ccl3i  
1652 CFBr3 fluorotribromomethane cfbr3  
1653 CFClBrI fluorochlorobromoiodomethane cfclbri  
1654 CBr3Cl tribromochloromethane cbr3cl  
1655 CF2I2 difluorodiiodomethane cf2i2  
1656 CBr4 Carbon tetrabromide cbr4  
1657 CCl2I2 dichlorodiiodomethane ccl2i2  
1658 SiBr4 Silicon tetrabromide sibr4  
1659 CBr3I tribromoiododmethane cbr3i  
1660 GeBr4 Germanium tetrabromide gebr4  
1661 CI4 tetraiodomethane ci4  
1662 SiI4 silicon tetraiodide sii4  
1663 ClOF3 Chlorine trifluoride oxide clof3  
1664 SF4 Sulfur tetrafluoride sf4  
1665 SeF4 Selenium tetrafluoride sef4  
1666 SCl4 Sulfur tetrachloride scl4  
1667 C2HF3 Trifluoroethylene c2hf3  
1668 C2HF3+ Trifluoroethylene cation c2hf3+  
1669 CHClCCl2 Trichloroethylene chclccl2  
1670 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1671 HClO4 perchloric acid hclo4  
1672 HSO3F Fluorosulfonic acid hso3f  
1673 CF3OH trifluoromethanol cf3oh  
1674 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1675 CHClCCHCl 1,3-dichloroallene chclcchcl  
1676 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1677 CHCl2CHO dichloroacetaldehyde chcl2cho  
1678 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1679 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1680 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1681 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1682 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1683 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1684 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1685 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1686 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1687 NH3BCl3 Amminetrichloroboron nh3bcl3  
1688 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1689 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1690 C3H5ClO Oxirane, (chloromethyl)- c106898  
1691 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1692 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1693 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1694 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1695 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1696 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1697 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1698 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1699 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1700 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1701 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1702 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1703 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1704 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1705 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1706 C4H9F 1-fluorobutane butaf1  
1707 CH3CHFCH2CH3 2-fluorobutane butaf2  
1708 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1709 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1710 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1711 XeF4 Xenon tetrafluoride xef4  
1712 C2H2N2O Furazan furazan  
1713 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1714 NH3BF3 Amminetrifluoroboron nh3bf3  
1715 C6H2 hexatriyne c6h2  
1716 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1717 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1718 C6H4 Benzyne benzyne  
1719 C6H5 phenyl phenyl  
1720 C6H5- phenyl anion phenyl-  
1721 C6H6 Prismane prismane  
1722 C6H6 1,2,4,5-Hexatetraene ht1245  
1723 C6H6 2,4-Hexadiyne hexadiyne  
1724 C6H6 3,4-Dimethylenecyclobutene cb34m  
1725 C6H6 Benzene benzene  
1726 C6H6 Benzvalene bv  
1727 C6H6 Dewar Benzene dewar  
1728 C6H6 Hexa-1,5-diene-3-yne hdy153  
1729 C6H6 Trimethylenecycopropane tmcp  
1730 C6H6+ Benzene cation c6h6+  
1731 C6H7+ benzene, protonated c6h7+  
1732 C6H8 (E)-hexa-1,3,5-triene c821078  
1733 C6H8 (E)-hexa-2,3,4-triene c59660650  
1734 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1735 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1736 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1737 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1738 C6H8 3-Methylenecyclopentene c930267  
1739 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1740 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1741 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1742 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1743 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1744 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1745 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1746 C6H10 1,5-Hexadiene c592427  
1747 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1748 C6H10 1-Hexyne hexyne1  
1749 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1750 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1751 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1752 C6H10 2-Hexyne c764352  
1753 C6H10 3-Hexyne hexyne3  
1754 C6H10 cyclohexene cyclohexene  
1755 C6H10 Cyclopentene, 1-methyl- c693890  
1756 C6H10 Cyclopentene, 3-methyl- c1120623  
1757 C6H10 Cyclopentene, 4-methyl- c1759815  
1758 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1759 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1760 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1761 C6H12 (E)-2-Hexene e2hexene  
1762 C6H12 (E)-3-methylpent-2-ene c616126  
1763 C6H12 (E)-hex-3-ene e3hexene  
1764 C6H12 (Z)-3-methylpent-2-ene c922623  
1765 C6H12 (Z)-hex-2-ene z2hexene  
1766 C6H12 (Z)-hex-3-ene z3hexene  
1767 C6H12 2,3-dimethylbut-1-ene c563780  
1768 C6H12 2,3-dimethyl-but-2-ene tmeet  
1769 C6H12 3-methylenepentane c760214  
1770 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1771 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1772 C6H12 Cyclohexane cyclohexane  
1773 C6H12 Cyclopentane, methyl- c96377  
1774 C6H12 Ethylcyclobutane c4806615  
1775 C6H12 hex-1-ene hexene1  
1776 C6H14 Butane, 2,2-dimethyl- buta22  
1777 C6H14 Butane, 2,3-dimethyl- buta23  
1778 C6H14 Hexane hexane  
1779 C6H14 Pentane, 2-methyl- penta2  
1780 C6H14 Pentane, 3-methyl- penta3  
1781 C4N2 2-Butynedinitrile c4n2  
1782 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1783 C4H2N2 Fumaronitrile c4h2n2  
1784 C2H2N4 sym-tetrazine ttz  
1785 C3H3N3 1,3,5-Triazine triazine135  
1786 CH3N5 5-Aminotetrazole c4418615  
1787 C4H4N2 1,3-Diazine diazine13  
1788 C4H4N2 Pyrazine pyrazine  
1789 C4H4N2 Pyridazine pyridazine  
1790 C4H4N2 Succinonitrile c110612  
1791 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1792 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1793 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1794 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1795 C5H5N E-2,4-pentadienenitrile bdcn  
1796 C5H5N Pyridine pyridine  
1797 B3N3H6 borazine borazine  
1798 C6H6 Fulvene fulvene  
1799 C5H6N+ Pyridinium c5h6n  
1800 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1801 C5H7N (E)-2-Pentenenitrile c26294984  
1802 C5H7N (E)-3-Pentenenitrile c16529661  
1803 C5H7N (Z)-2-Pentenenitrile c25899507  
1804 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1805 C5H7N Cyclobutanecarbonitrile c4426113  
1806 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1807 C5H9N Butanenitrile, 2-methyl- c18936179  
1808 C5H9N Pentanenitrile c110598  
1809 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1810 C6H10 Bicyclo[3.1.0]hexane c285585  
1811 C5H11N Cyclopentanamine cypentam  
1812 C5H11N Piperidine piper  
1813 C4H12N2 1,2-Butanediamine c4426486  
1814 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1815 Li2CO3 Lithium Carbonate li2co3  
1816 Na2CO3 Sodium Carbonate na2co3  
1817 C2O4-- oxalate anion c2o4  
1818 MgSO4 Magnesium Sulfate mgso4  
1819 N2O4 Dinitrogen tetroxide n2o4  
1820 C3H2O3 vinylene carbonate vica  
1821 C2H2O4 Oxalic Acid oxalic  
1822 C2H3NO3 Oxamic acid oxamic  
1823 C4H4O2 2(5H)-Furanone furanone  
1824 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1825 C2H4N2O2 Oxalamide oxalamide  
1826 C2H4N2S2 Ethanedithioamide c79403  
1827 C2H4CO3 Ethylene carbonate etco3  
1828 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1829 C3H4S3 1,3-Dithiolane-2-thione c822388  
1830 C2H4O4 Formic acid dimer fadimer  
1831 C4H5NO 3-Methylisoxazole isox3m  
1832 C4H5NO Isoxazole, 5-methyl- c5765446  
1833 C4H5NS 4-Methylthiazole c693958  
1834 C2H5NO3 Nitric acid, ethyl ester c625581  
1835 C5H6O 2H-Pyran pyran2  
1836 C5H6O 2-methylfuran furan2m  
1837 C5H6O 3-Methylfuran furan3m  
1838 C5H6O Pentadienal pdal  
1839 C5H6S Thiophene, 2-methyl- c554143  
1840 C5H6S Thiophene, 3-methyl- c616444  
1841 C4H6O2 γ–Butyrolactone c96480  
1842 C4H6O2 2,3-Butanedione c431038  
1843 C4H6O2 2-Propenoic acid, methyl ester c96333  
1844 C4H6O2 Crotonic Acid crot  
1845 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1846 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1847 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1848 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1849 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1850 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1851 C4H6OS Vinyl sulfoxide c1115157  
1852 CH6N4S Carbonothioic dihydrazide thiacarb  
1853 C2H6N2O2 (E)-Azodioxymethane c37765154  
1854 C2H6N2O2 Dimethylnitroamine c4164287  
1855 C3H6O3 1,3,5-Trioxane trioxane  
1856 C3H6S3 1,3,5-Trithiane c3h6s3  
1857 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1858 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1859 C4H7NO 2-Pyrrolidinone c616455  
1860 C4H7NO Ethoxyacetonitrile etoaccn  
1861 C4H7NO Methacrylamide c79390  
1862 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1863 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1864 C3H7ONO Propyl nitrite prono  
1865 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1866 CH3CH(NH2)COOH Alanine alanine  
1867 CH3NHCH2COOH Sarcosine sarcosine  
1868 NH2CH2CH2COOH β–alanine betaalanine  
1869 NH2COOC2H5 Urethane urethane  
1870 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1871 C5H8O Cyclopentanone c120923  
1872 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1873 C5H8O Methyl cyclopropyl ketone c765435  
1874 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1875 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1876 NH2CONHC2H5 Urea, ethyl- c625525  
1877 C4H8O2 1,3-Dioxane dioxan13  
1878 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1879 C4H8O2 1,4-Dioxane dioxan14  
1880 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1881 C4H8O2 Ethyl acetate c141786  
1882 C4H8OS s-Ethyl thioacetate c625605  
1883 C3H8O3 1,2,3-Propanetriol glycerin  
1884 C3H8O2S (Methylsulfonyl)ethane c594434  
1885 C4H9NO Butanamide c541355  
1886 C4H9NO Propanamide, 2-methyl- c563837  
1887 C5H10O 2-Butanone, 3-methyl- c563804  
1888 C5H10O 2H-Pyran, tetrahydro- c142687  
1889 C5H10O 2-methylbutyraldehyde 2meba  
1890 C5H10O 2-Pentanone mpk  
1891 C5H10O 3-Pentanone dek  
1892 C5H10O Cyclopentanol c96413  
1893 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1894 C5H10O Pentanal pal  
1895 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1896 C5H10S 3-Ethylthio-1-propene c5296628  
1897 C5H10S Cyclopentanethiol c1679078  
1898 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1899 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1900 C4H10O2 1,1-Dimethoxyethane c534156  
1901 C4H10O2 1,3-Butanediol budiol13  
1902 C4H10O2 1,4-Butanediol budiol14  
1903 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1904 C4H10OS Diethyl sulfoxide c70291  
1905 C4H10S2 1,4-Butanedithiol budisl14  
1906 C4H11NO Diethylhydroxylamine c3710847  
1907 C5H12O 1-Butanol, 2-methyl- c137326  
1908 C5H12O 1-Butanol, 3-methyl- c123513  
1909 C5H12O 1-Pentanol pentanol1  
1910 C5H12O 2-Butanol, 3-methyl- c598754  
1911 C5H12O 2-Pentanol peol2  
1912 C5H12O 3-Pentanol pentan3ol  
1913 C5H12O Butane, 1-methoxy- meobu  
1914 C5H12O Propane, 1-ethoxy- proet  
1915 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1916 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1917 C5H12S 1-Butanethiol, 3-methyl- c541311  
1918 C5H12S 1-Pentanethiol c110667  
1919 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1920 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1921 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1922 C5H12S Butane, 1-(methylthio)- c628295  
1923 C5H12S Ethyl propyl sulfide c4110503  
1924 C5H12S Propane, 2-(ethylthio)- c5145993  
1925 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1926 C4F2 difluorobutadiyne c4f2  
1927 ClCOClCO Oxalyl chloride oxcl  
1928 CF3CN Acetonitrile, trifluoro- cf3cn  
1929 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1930 B2F4 Diboron tetrafluoride b2f4  
1931 B2Cl4 Diboron tetrachloride b2cl4  
1932 C2F4 Tetrafluoroethylene c2f4  
1933 C2F4+ Tetrafluoroethylene cation c2f4+  
1934 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1935 CF2CCl2 difluorodichloroethylene cf2ccl2  
1936 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1937 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1938 C2FCl3 fluorotrichloroethene c2fcl3  
1939 C2Cl4 Tetrachloroethylene c2cl4  
1940 C2Br4 tetrabromoethene c2br4  
1941 CF3OF Trifluoromethylhypofluorite cf3of  
1942 SiF5- silicon pentafluoride anion sif5-  
1943 SOF4 Sulfur tetrafluoride oxide sof4  
1944 PF5 Phosphorus pentafluoride pf5  
1945 AsF5 Arsenic pentafluoride asf5  
1946 PCl5 Phosphorus pentachloride pcl5  
1947 SF5 Sulfur pentafluoride sf5  
1948 SF5+ pentafluoro sulfur cation sf5+  
1949 SbCl5 Antimony pentachloride sbcl5  
1950 BrF5 bromine pentafluoride brf5  
1951 ClF5 chlorinepentafluoride clf5  
1952 IF5 pentafluoroiodine if5  
1953 CF3CHO trifluoroacetaldehyde cf3cho  
1954 CCl3CHO trichloroacetaldehyde ccl3cho  
1955 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1956 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1957 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1958 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1959 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1960 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1961 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1962 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1963 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1964 CF3COOH trifluoroacetic acid cf3cooh  
1965 C4H3ClO Furan, 2-chloro fur2cl  
1966 C4H3ClO Furan,3-chloro fur3cl  
1967 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1968 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1969 C4H8Cl2 1,4-Dichlorobutane c110565  
1970 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1971 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1972 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1973 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1974 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1975 C5H11Cl Pentane, 1-chloro- pencl1  
1976 C4H8O2 Butanoic acid bua  
1977 C6H5CH2 benzyl radical benzyl  
1978 C7H7 cycloheptatrienyl radical c7h7  
1979 C7H7+ cycloheptatrienyl cation c7h7+  
1980 C6H5CH3 toluene toluene  
1981 C7H8 cycloheptatriene cht  
1982 C7H8 Norbornadiene norbor  
1983 C7H8 Quadricyclane qucy  
1984 C7H12 Norbornane nor  
1985 C7H14 cycloheptane c7h14  
1986 C7H16 2-methylhexane 2mhex  
1987 C7H16 3-methylhexane hex3m  
1988 C7H16 heptane heptane  
1989 CH(CN)3 tricyanomethane mecn3  
1990 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1991 C6H7N 2-Methylpyridine mp  
1992 C6H5NH2 aniline aniline  
1993 C6H13N 2-Methylpiperidine pip2m  
1994 C6H13N cyclohexanamine cham  
1995 C6H15N triethylamine tea  
1996 N2O5 Dinitrogen pentoxide n2o5  
1997 C4H2O3 Maleic Anhydride malan  
1998 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1999 C5H4O2 furfural furfural  
2000 C6H5O phenoxy radical phenoxy  
2001 C5H5NO 2(1H)-Pyridinone c72762006  
2002 C5H5NO 2(3H)-Pyridinone c9000048  
2003 C5H5NO 2(5H)-Pyridinone c9000037  
2004 C5H5NO 2-Pyridinol c109104  
2005 C5H5NO 3(2H)-Pyridinone c9000004  
2006 C5H5NO 3(4H)-Pyridinone c9000026  
2007 C5H5NO 3(6H)-Pyridinone c9000015  
2008 C5H5NO 3-Pyridinol c109002  
2009 C5H5NO 4(1H)-Pryidinone c9000060  
2010 C5H5NO 4(3H)-Pryidinone c9000059  
2011 C5H5NO 4-Pyridinol c626642  
2012 C6H5OH phenol phenol  
2013 C6H6O 2,4-Cyclohexadienone c24599573  
2014 C6H6O 2,5-Cyclohexadienone c5664335  
2015 C6H5SH Benzenethiol phsh  
2016 HO2CCHNH2CH2OH Serine serine  
2017 C5H8O2 Acetylacetone acac  
2018 C4H8O2S Sulfolane sulfolane  
2019 C7H10 Norbornene norbornene  
2020 CH(C2H3)3 trivinyl methane tvm  
2021 C6H10O cyclohexanone chexo  
2022 C6H12O hexanal c6h12o  
2023 C6H12O Oxepane oxepane  
2024 C3H7OC3H7 di-n-propyl ether propr  
2025 F2CCCF2 tetrafluoroallene pfa  
2026 CF3COO- trifluoro acetate anion cf3coo-  
2027 CF3COF trifluoroacetyl fluoride cf3cof  
2028 CF3COCl trifluoroacetyl chloride cf3cocl  
2029 PF6 Hexafluorophosphate neutral pf6  
2030 PF6- Hexafluorophosphate ion pf6-  
2031 SF6 Sulfur Hexafluoride sf6  
2032 SeF6 Selenium hexafluoride sef6  
2033 SF5Cl sulfur chloropentafluoride sf5cl  
2034 CF3CHF2 pentafluoroethane cf3chf2  
2035 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2036 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2037 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2038 CCl3CHCl2 pentachloroethane ccl3chcl2  
2039 C6H5F Fluorobenzene bzf  
2040 C6H5Cl chlorobenzene bzcl  
2041 C6H5Br bromobenzene bzbr  
2042 C8H6 Calicene calicene  
2043 C6H5CCH phenylacetylene phac  
2044 C8H6 benzocyclobutadiene bcbd  
2045 C8H6 Pentalene pentalene  
2046 C6H5CHCH2 Styrene styrene  
2047 C8H8 cubane cubane  
2048 C8H8 cyclooctatetraene cot  
2049 C6H5CH2CH3 Ethylbenzene etbz  
2050 CH3C6H4CH3 meta-xylene mxylene  
2051 CH3C6H4CH3 paraxylene pxylene  
2052 C8H14 Bicyclo[2.2.2]octane bico222  
2053 C8H16 cyclooctane cyclooct  
2054 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2055 C8H18 Octane c8h18  
2056 C6H5CN phenyl cyanide phcn  
2057 C6H12N2 Triethylenediamine ted  
2058 C4O4-- squarate dianion c4o4--  
2059 S4N4 Tetrasulfur tetranitride s4n4  
2060 S8 Octasulfur s8  
2061 C6H4O2 parabenzoquinone pbq  
2062 C4H4N2O2 Uracil uracil  
2063 C6H5CHO benzaldehyde benzal  
2064 C6H5OCH3 Anisole anisole  
2065 C5H9NO2 Proline proline  
2066 C6H12O2 Methyl pivalate c598981  
2067 C6H12O2 Hexanoic acid hexa  
2068 C4F4 tetrafluorcyclobutadiene c4f4  
2069 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2070 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2071 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2072 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2073 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2074 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2075 C2F6 hexafluoroethane c2f6  
2076 C2Cl6 hexachloroethane c2cl6  
2077 IF7 Iodine heptafluoride if7  
2078 C6H4F2 metadifluorobenzene mdfb  
2079 C6H4F2 orthodifluorobenzene odfb  
2080 C6H4F2 1,4-difluorobenzene pdfb  
2081 C6H4Cl2 1,2-dichlorobenzene dcb12  
2082 C6H4Cl2 1,3-dichlorobenzene dcb13  
2083 C6H4Cl2 1,4-dichlorobenzene dcb14  
2084 C6H5NO nitrosobenzene bzno  
2085 C9H8 Indene indene  
2086 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2087 C9H12 n-propyl benzene prbz  
2088 C9H20 Nonane nonane  
2089 C(CN)4 tetracyanomethane c5n4  
2090 C5H4N4 purine purine  
2091 C8H7N Indole indole  
2092 C3H3N3O3 cyanuric acid cyanuric  
2093 C6H5NO2 Nitrobenzene c6h5no2  
2094 C6H5COOH benzoic acid benzo  
2095 CH3COC6H5 acetophenone acph  
2096 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2097 C3F6 hexafluoropropene c3f6  
2098 C6H3F3 Benzene trifluoride 123 bzf3a  
2099 C8H18O 1-Octanol octanol  
2100 C10H8 Azulene azu  
2101 C10H8 naphthalene naph  
2102 C10H10 bullvalene bullv  
2103 C10H16 adamantane adamantane  
2104 C6N4 Tetracyanoethylene tcne  
2105 C6N4- tetracyanoethylene anion tcne-  
2106 C10H22 Decane decane  
2107 C4F6 perfluorobutadiene c4f6  
2108 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2109 C3F8 perfluoropropane c3f8  
2110 Fe(CO)5 Iron pentacarbonyl ipc  
2111 Fe(C5H5)2 ferrocene fecp2  
2112 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2113 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2114 C12H8 Acenaphthylene acenaph  
2115 C12H8 biphenylene biph  
2116 C12H10 biphenyl biphenyl  
2117 C12H10 Heptalene heptalene  
2118 C6H12O6 Inositol inositol  
2119 C6F6 hexafluorobenzene c6f6  
2120 S2F10 disulphur decafluoride s2f10  
2121 C13H10 Fluorene fluorene  
2122 C14H10 Anthracene anth  
2123 C14H10 Phenanthrene phenanthrene  
2124 C14H14 Bibenzyl bibenzyl  
2125 C12H10N2 azobenzene azobenzene  
2126 C6H5COC6H5 benzophenone benzophenone  
2127 C16H10 Pyrene pyrene  
2128 C18H12 Tetracene tetracene  
2129 C19H16 Triphenylmethane tpm  
2130 C24H12 Coronene coronene  
2131 C60 Buckminsterfullerene c60