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 QCISD(T)=FULL /cc-pCVQZ

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count Species Name State Conformation
1 HS Mercapto radical 2ΠC∞v
2 H2O Water 1A1C2v
3 H2S Hydrogen sulfide 1A1C2v
4 CN Cyano radical 2ΣC∞v
5 N2 Nitrogen diatomic 1ΣgD∞h
6 HCN Hydrogen cyanide 1ΣC∞v
7 NNH+ Dinitrogen monohydride cation 1ΣC∞v
8 BO boron monoxide 2ΣC∞v
9 CO Carbon monoxide 1ΣC∞v
10 CO+ carbon monoxide cation 2ΣC∞v
11 NO Nitric oxide 2ΠC∞v
12 O2 Oxygen diatomic 3ΣgD∞h
13 SO Sulfur monoxide 3ΣC∞v
14 F2 Fluorine diatomic 1ΣgD∞h
15 Cl2 Chlorine diatomic 1ΣgD∞h
16 CO2 Carbon dioxide 1ΣgD∞h
17 BH3CO Borane carbonyl 1A1C3v

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2 Hydrogen diatomic h2  
9 H2- hydrogen diatomic anion h2-  
10 H2+ Hydrogen cation h2+  
11 HD Deuterium hydride hd  
12 H3+ hydrogen trimer cation h3+  
13 He Helium atom he  
14 He- Helium atom anion he-  
15 He+ Helium atom cation he+  
16 HeH Helium hydride heh  
17 HeH+ Helium hydride cation heh+  
18 He2+ helium diatomic cation he2+  
19 Li Lithium atom li  
20 Li- Lithium atom anion li-  
21 Li+ Lithium atom cation li+  
22 Na Sodium atom na  
23 Na- Sodium atom anion na-  
24 Na+ Sodium atom cation na+  
25 K Potassium atom k  
26 K- Potassium atom anion k-  
27 K+ Potassium atom cation k+  
28 Cu Copper atom cu  
29 Cu- Copper atom anion cu-  
30 Cu+ Copper atom cation cu+  
31 LiH Lithium Hydride lih  
32 LiH- lithium hydride anion lih-  
33 LiH+ lithium hydride cation lih+  
34 NaH sodium hydride nah  
35 NaH- sodium hydride anion nah-  
36 NaH+ sodium hydride cation nah+  
37 KH Potassium hydride kh  
38 KH+ Potassium hydrogen cation kh+  
39 CuH Copper monohydride cuh  
40 Be Beryllium atom be  
41 Be- Beryllium atom anion be-  
42 Be+ Beryllium atom cation be+  
43 Mg Magnesium atom mg  
44 Mg- Magnesium atom anion mg-  
45 Mg+ Magnesium atom cation mg+  
46 Ca Calcium atom ca  
47 Ca- Calcium atom anion ca-  
48 Ca+ Calcium atom cation ca+  
49 Zn Zinc atom zn  
50 Zn- Zinc atom anion zn-  
51 Zn+ Zinc atom cation zn+  
52 BeH beryllium monohydride beh  
53 BeH- berylium monohydride anion beh-  
54 BeH+ beryllium monohydride cation beh+  
55 MgH magnesium monohydride mgh  
56 MgH- magnesium monohydride anion mgh-  
57 MgH+ magnesium monohydride cation mgh+  
58 CaH Calcium monohydride cah  
59 CaH+ Calcium monohydride cation cah+  
60 TiH Titanium monohydride tih  
61 ZnH Zinc monohydride znh  
62 ZnH+ Zinc, protonated znh+  
63 BeH2 beryllium dihydride beh2  
64 BeH2+ Beryllium dihydride cation beh2+  
65 MgH2 magnesium dihydride mgh2  
66 CaH2 Calcium Hydride cah2  
67 ZnH2 Zinc hydride znh2  
68 B Boron atom b  
69 B- Boron atom anion b-  
70 B+ Boron atom cation b+  
71 Al Aluminum atom al  
72 Al- Aluminum atom anion al-  
73 Al+ Aluminum atom cation al+  
74 Sc Scandium atom sc  
75 Sc+ Scandium cation sc+  
76 Ga Gallium atom ga  
77 Ga- Gallium atom anion ga-  
78 Ga+ Gallium atom cation ga+  
79 BH Boron monohydride bh  
80 BH- boron monohydride anion bh-  
81 BH+ boron monohydride cation bh+  
82 AlH aluminum monohydride alh  
83 AlH- aluminum monohydride anion alh-  
84 AlH+ aluminum monohydride cation alh+  
85 ScH Scandium monohydride sch  
86 ScH+ Scandium monohydride cation sch+  
87 GaH Gallium monohydride gah  
88 GaH+ Gallium monohydride cation gah+  
89 BH2 boron dihydride bh2  
90 BH2- boron dihydride anion bh2-  
91 BH2+ Boron dihydride cation bh2+  
92 AlH2 aluminum dihydride alh2  
93 AlH2- aluminum dihydride anion alh2-  
94 AlH2+ aluminum dihydride cation alh2+  
95 BH3 boron trihydride bh3  
96 BH3- boron trihydride anion bh3-  
97 BH3+ boron trihydride cation bh3+  
98 AlH3 aluminum trihydride alh3  
99 AlH3- aluminum trihydride anion alh3-  
100 AlH3+ aluminum trihydride cation alh3+  
101 ScH3 Scandium trihydride sch3  
102 GaH3 Gallium trihydride gah3  
103 BH4 borohydride bh4  
104 BH4- borohydride anion bh4-  
105 AlH4- Aluminum tetrahydride anion alh4-  
106 C Carbon atom c  
107 C- Carbon atom anion c-  
108 C+ Carbon atom cation c+  
109 Si Silicon atom si  
110 Si- Silicon atom anion si-  
111 Si+ Silicon atom cation si+  
112 Ti Titanium atom ti  
113 Ti- Titanium atom anion ti-  
114 Ti+ Titanium atom cation ti+  
115 Ge Germanium atom ge  
116 Ge- Germanium anion ge-  
117 Ge+ Germanium cation ge+  
118 Sn Tin atom sn  
119 Sn+ Tin cation sn+  
120 CH Methylidyne ch  
121 CH- methylidyne anion ch-  
122 CH+ Methylidyne cation ch+  
123 SiH Silylidyne sih  
124 SiH- silicon monohydride anion sih-  
125 SiH+ silicon monohydride cation sih+  
126 GeH germylidene geh  
127 GeH+ Germaniun monohyrdide cation geh+  
128 CH2 Methylene ch2  
129 CH2- methylene anion ch2-  
130 CH2+ methylene cation ch2+  
131 SiH2 silicon dihydride sih2  
132 SiH2- silicon dihydride anion sih2-  
133 SiH2+ silicon dihydride cation sih2+  
134 GeH2 germylene geh2  
135 GeH2- germylene anion geh2-  
136 CH3 Methyl radical ch3  
137 CH3- methyl anion ch3-  
138 CH3+ methyl cation ch3+  
139 SiH3 Silyl radical sih3  
140 SiH3- Silyl anion sih3-  
141 SiH3+ Silyl cation sih3+  
142 GeH3 Germyl radical geh3  
143 GeH3+ germyl cation geh3+  
144 CD4 methane-d4 cd4  
145 CH2D2 methane-d2 ch2d2  
146 CH3D methane-d ch3d  
147 CH4 Methane ch4  
148 CH4- Methane anion ch4-  
149 CH4+ Methane cation ch4+  
150 CHD3 methane-d3 chd3  
151 SiH2D2 silane-d2 sih2d2  
152 SiH4 Silane sih4  
153 SiH4+ Silane cation sih4+  
154 GeH4 Germane geh4  
155 SnH4 Stannane snh4  
156 SiH5+ Silane, protonated sih5+  
157 N Nitrogen atom n  
158 N- Nitrogen atom anion n-  
159 N+ Nitrogen atom cation n+  
160 P Phosphorus atom p  
161 P- Phosphorus atom anion p-  
162 P+ Phosphorus atom cation p+  
163 V Vanadium atom v  
164 V+ Vanadium atom cation v+  
165 As Arsenic atomic as  
166 As- Arsenic anion as-  
167 As+ Arsenic cation as+  
168 Sb Antimony atom sb  
169 NH Imidogen nh  
170 NH- Imidogen anion nh-  
171 NH+ imidogen cation nh+  
172 PH phosphorus monohydride ph  
173 PH- phosphorus monohydride anion ph-  
174 PH+ phosphorus monohydride cation ph+  
175 AsH Arsenic monohydride ash  
176 AsH+ Arsenic monohydride cation ash+  
177 SbH Antimony monohydride sbh  
178 ND2 Amidogen-d2 nd2  
179 NH2 Amino radical nh2  
180 NH2- amino anion nh2-  
181 NH2+ Amino cation nh2+  
182 PH2 Phosphino radical ph2  
183 PH2- Phosphino anion ph2-  
184 PH2+ Phosphino cation ph2+  
185 AsH2 Arsenic dihydride ash2  
186 AsH2+ Arsenic dihydride cation ash2+  
187 ND3 Ammonia-d3 nd3  
188 NH3 Ammonia nh3  
189 NH3- Ammonia anion nh3-  
190 NH3+ ammonia cation nh3+  
191 PH3 Phosphine ph3  
192 PH3+ Phosphine cation ph3+  
193 AsH3 Arsine ash3  
194 AsH3+ Arsine cation ash3+  
195 SbH3 Stibine sbh3  
196 AsH4+ Arsonium ash4+  
197 NH4 Ammonium radical nh4  
198 NH4+ ammonium cation nh4+  
199 PH4 Phosphoranyl radical ph4  
200 PH4+ phosphonium cation ph4+  
201 O Oxygen atom o  
202 O- Oxygen atom anion o-  
203 O+ Oxygen atom cation o+  
204 S Sulfur atom s  
205 S- Sulfur atom anion s-  
206 S+ Sulfur atom cation s+  
207 Cr Chromium atom cr  
208 Se Selenium atom se  
209 Se- Selenium atom anion se-  
210 Se+ Selenium atom cation se+  
211 Te Tellurium atom te  
212 Te+ Tellurium atom cation te+  
213 DO Hydroxyl-d od  
214 OH Hydroxyl radical oh  
215 OH- hydroxide anion oh-  
216 OH+ hydoxyl cation oh+  
217 DS Mercapto-d ds  
218 HS- mercapto anion sh-  
219 HS+ sulfur monohydride cation sh+  
220 CrH Chromium hydride crh  
221 CrH+ Chromium hydride cation crh+  
222 HSe Selenium monohydride hse  
223 HSe- selenium monohydride anion hse-  
224 HSe+ selenium monohydride cation hse+  
225 TeH Telluryl radical teh  
226 D2O Deuterium oxide d2o  
227 H2O- water anion h2o-  
228 H2O+ water cation h2o+  
229 HDO Water-d1 hdo  
230 D2S Hydrogen sulfide-d2 d2s  
231 H2S- Hydrogen sulfide anion h2s-  
232 H2S+ Hydrogen sulfide cation h2s+  
233 H2Se Hydrogen selenide h2se  
234 H2Se+ Hydrogen selenide cation h2se+  
235 H2Te Hydrogen Telluride h2te  
236 H3O+ hydronium cation h3o+  
237 H3S+ Sulfonium cation h3s+  
238 H3Se+ Hydrogen Selenide, protonated h3se+  
239 F Fluorine atom f  
240 F- Fluorine atom anion f-  
241 F+ Fluorine atom cation f+  
242 Cl Chlorine atom cl  
243 Cl- Chlorine atom anion cl-  
244 Cl+ Chlorine atom cation cl+  
245 Mn Manganese atom mn  
246 Br Bromine atom br  
247 Br- Bromine atom anion br-  
248 Br+ Bromine atom cation br+  
249 I Iodine atom iodine  
250 I- Iodine atom anion iodine-  
251 I+ Iodine atom cation iodine+  
252 DF Hydrofluoric acid-d df  
253 HF Hydrogen fluoride hf  
254 HF- hydrogen fluoride anion hf-  
255 HF+ hydrogen fluoride cation hf+  
256 DCl Hydrochloric acid-d dcl  
257 HCl Hydrogen chloride hcl  
258 HCl- hydrogen chloride anion hcl-  
259 HCl+ hydrogen chloride cation hcl+  
260 HBr hydrogen bromide hbr  
261 HBr- hydrogen bromide anion hbr-  
262 HBr+ hydrogen bromide cation hbr+  
263 HI Hydrogen iodide hi  
264 HI+ Hydrogen iodide cation hi+  
265 H2F+ dihydrogen fluoride cation h2f+  
266 H2Cl+ dihydrogen monochloride cation h2cl+  
267 H2Br+ protonated hydrogen bromide h2br+  
268 H2I+ Iodonium h2i+  
269 Ne Neon atom ne  
270 Ne- Neon atom anion ne-  
271 Ne+ Neon atom cation ne+  
272 Ar Argon atom ar  
273 Ar- Argon atom anion ar-  
274 Ar+ Argon atom cation ar+  
275 Fe Iron atom fe  
276 Kr Krypton atom kr  
277 Kr+ Krypton cation kr+  
278 Xe Xenon atom xe  
279 HeLi+ Helium Lithium cation heli+  
280 NeH neon hydrogen neh  
281 NeH+ neon hydrogen cation neh+  
282 ArH+ Argon hydride cation arh+  
283 KrH+ Protonated Krypton krh+  
284 XeH+ Xenon, protonated xeh+  
285 H2Ar H2 Ar dimer h2ar  
286 Co Cobalt atom cobalt  
287 Ni Nickel atom ni  
288 Li2 Lithium diatomic li2  
289 Li2- lithium diatomic anion li2-  
290 Li2+ lithium diatomic cation li2+  
291 NaLi lithium sodium lina  
292 NaLi- lithium sodium anion lina-  
293 NaLi+ lithium sodium cation lina+  
294 LiK Lithium Potassium lik  
295 Na2 Sodium diatomic na2  
296 Na2- sodium diatomic anion na2-  
297 Na2+ sodium diatomic cation na2+  
298 NaK Sodium Potassium nak  
299 NaK+ Sodium Potassium diatomic cation nak+  
300 K2 Potassium diatomic k2  
301 Cu2 Copper diatomic cu2  
302 LiBe Lithium Beryllium libe  
303 LiMg Lithium magnesium limg  
304 NaBe Sodium Beryllium nabe  
305 NaMg Sodium Magnesium namg  
306 Be2 Beryllium diatomic be2  
307 Be2- Beryllium diatomic anion be2-  
308 Be2+ Beryllium diatomic cation be2+  
309 BeMg Beryllium Magnesium bemg  
310 Mg2 Magnesium diatomic mg2  
311 Mg2- magnesium diatomic anion mg2-  
312 Mg2+ magnesium diatomic cation mg2+  
313 Ca2 Calcium diatomic ca2  
314 LiB Lithium boride lib  
315 LiAl Lithium Aluminum lial  
316 NaAl Sodium aluminum naal  
317 BeB Beryllium monoboride beb  
318 B2 Boron diatomic b2  
319 B2- Boron diatomic anion b2-  
320 B2+ Boron diatomic cation b2+  
321 BAl Boron Aluminum bal  
322 Al2 Aluminum diatomic al2  
323 Al2- aluminum diatomic anion al2-  
324 Al2+ aluminum diatomic cation al2+  
325 BGa Boron Gallium bga  
326 AlGa Aluminum Gallium alga  
327 Ga2 Gallium diatomic ga2  
328 HBBH Diborane(2) hbbh  
329 LiBH4 Lithium borohydride libh4  
330 B2H4 Diborane(4) D2d b2h4  
331 HBHHBH Diborane(4) C2V hbhhbh  
332 B2H6 Diborane b2h6  
333 B2H6+ Diborane cation b2h6  
334 Al2H6 dialane al2h6  
335 Ga2H6 digallane ga2h6  
336 LiC Lithium Carbide lic  
337 BeC Beryllium Carbide bec  
338 CaC Calcium monocarbide cac  
339 BC boron monocarbide bc  
340 BC- boron monocarbide anion bc-  
341 BC+ boron monocarbide cation bc+  
342 AlC Aluminum carbide alc  
343 BSi Boron silicide bsi  
344 C2 Carbon diatomic c2  
345 C2- carbon diatomic anion c2-  
346 C2+ carbon diatomic cation c2+  
347 SiC silicon monocarbide sic  
348 SiC- silicon monocarbide anion sic-  
349 SiC+ silicon monocarbide cation sic+  
350 Si2 Silicon diatomic si2  
351 Si2- silcon diatomic anion si2-  
352 Si2+ silcon diatomic cation si2+  
353 GeC Germanium monocarbide gec  
354 SiGe Silicon Germanium sige  
355 Ge2 Germanium diatomic ge2  
356 C2H Ethynyl radical c2h  
357 C2H- Ethynyl anion c2h-  
358 C2H+ Ethynyl cation c2h+  
359 ZnCH2 Zinc methylene znch2  
360 C2H2 Acetylene c2h2  
361 C2H2+ acetylene cation c2h2+  
362 CCH2 vinylidene vinylidene  
363 H2CC- vinylidene anion h2cc-  
364 HCCH- acetylene anion c2h2-  
365 Si2H2 disilyne si2h2  
366 CH3Li methyl lithium ch3li  
367 CuCH3 monomethyl copper cuch3  
368 ZnCH3 Zinc monomethyl znch3  
369 CH2BH methyleneborane ch2bh  
370 C2H3 vinyl c2h3  
371 C2H3- vinyl anion c2h3-  
372 C2H3+ vinyl cation c2h3+  
373 C2H4 Ethylene c2h4  
374 C2H4- Ethylene anion c2h4-  
375 C2H4+ Ethylene cation c2h4+  
376 CH3CH methylmethylene ch3ch  
377 CH2SiH2 silaethylene ch2sih2  
378 Si2H4 Disilene si2h4  
379 CH3BH2 methylborane ch3bh2  
380 C2H5 Ethyl radical c2h5  
381 C2H5- Ethyl anion c2h5-  
382 C2H5+ Ethyl cation c2h5+  
383 C2H6 Ethane c2h6  
384 C2H6+ ethane cation c2h6+  
385 CH3SiH3 methyl silane ch3sih3  
386 Si2H6 disilane si2h6  
387 GeH3CH3 methyl germane geh3ch3  
388 C2H7+ Ethane, protonated c2h7+  
389 LiN Lithium Nitride lin  
390 LiN+ Lithium Nitride cation lin+  
391 LiP Lithium monophosphide lip  
392 BeN Beryllium mononitride ben  
393 BeN- Beryllium mononitride anion ben-  
394 BeN+ Beryllium mononitride cation ben+  
395 MgN Magnesium Nitride mgn  
396 BN- boron nitride anion bn-  
397 AlN- aluminum mononitride anion aln-  
398 AlN+ aluminum mononitride cation aln+  
399 BP Boron monophosphide bp  
400 AlP Aluminum monophosphide alp  
401 GaN Gallium mononitride gan  
402 GaP Gallium monophosphide gap  
403 GaAs Gallium arsenide gaas  
404 BN boron nitride bn  
405 BN+ boron nitride cation bn+  
406 AlN Aluminum nitride aln  
407 CN- cyanide anion cn-  
408 CN+ Cyano cation cn+  
409 CP Carbon monophosphide cp  
410 CP- carbon monophosphide anion cp-  
411 CP+ carbon monophosphide cation cp+  
412 SiN Silicon nitride sin  
413 SiN- silicon mononitride anion sin-  
414 SiN+ silicon mononitride cation sin+  
415 SiP Silicon monophosphide sip  
416 SiP- Silicon monophosphide anion sip-  
417 SiP+ Silicon monophosphide cation sip+  
418 TiN Titanium mononitride tin  
419 N2- nitrogen diatomic anion n2-  
420 N2+ diatomic nitrogen cation n2+  
421 PN Phosphorus mononitride pn  
422 PN- phosphorus nitride anion pn-  
423 PN+ phosphorus nitride cation pn+  
424 P2 Phosphorus diatomic p2  
425 P2- phosphorus diatomic anion p2-  
426 P2+ phosphorus diatomic cation p2+  
427 AsN Arsenic mononitride asn  
428 AsP Arsenic monophosphide asp  
429 SbN Antimony nitride sbn  
430 As2 Arsenic diatomic as2  
431 HNB hydrogen nitrogen boron hnb  
432 HNC hydrogen isocyanide hnc  
433 HCN- Hydrogen cyanide anion hcn-  
434 HCN+ hydrogen cyanide cation hcn+  
435 HNC+ hydrogen isocyanide cation hnc+  
436 HCP Phosphaethyne hcp  
437 HCP+ Phosphaethyne cation hcp+  
438 NNH Dinitrogen monohydride nnh  
439 HPO Hydrogen phosphorus oxide hpo  
440 HPO+ Hydrogen phosphorus oxide cation hpo+  
441 LiNH2 lithium amide linh2  
442 HBNH Boranimine hbnh  
443 CNH2 Aminomethylidyne radical cnh2  
444 CNH2+ N-protonated hydrogen isocyanide cnh2+  
445 H2CN Dihydrogen cyanide radical h2cn  
446 H2CN+ hydrocyanonium cation h2cn+  
447 HCNH methyleneazane hcnh  
448 HCNH+ N-protonated HCN hcnh+  
449 H2NN Isodiazene h2nn  
450 N2H2 (E)-diazene n2h2  
451 N2H2 (Z)-Diazene n2h2z  
452 N2H2+ trans-diazene cation n2h2+  
453 CH2NH Methanimine ch3n  
454 CH2NH+ Methanimine cation ch2nh+  
455 CHNH2 aminomethylene chnh2  
456 CHNH2+ Aminocarbene cation chnh2+  
457 CH2PH Phosphaethene ch3p  
458 BH2NH2 Boranamine bh2nh2  
459 CH2NH2+ methyleneamine cation ch2nh2+  
460 N2H4 Hydrazine n2h4  
461 N2H4+ hydrazine cation n2h4+  
462 P2H4 Diphosphine p2h4  
463 CH3NH2 methyl amine ch3nh2  
464 CH3NH2+ methyl amine cation ch3nh2+  
465 CH3PH2 Methyl phosphine ch3ph2  
466 SiH3NH2 Silane, amino sih3nh2  
467 N2H5+ protonated hydrazine n2h5+  
468 BH3PH3 borane phosphine bh3ph3  
469 BH3NH3 borane ammonia bh3nh3  
470 CH3NH3 methyl ammonium radical ch3nh3  
471 CH3NH3+ protonated methylamine ch3nh3+  
472 CH3PH3+ methyl phosphine, protonated ch3ph3+  
473 NH3NH3 Ammonia Dimer nh3nh3  
474 N2H7+ ammonia ammonium dimer n2h7+  
475 LiO lithium oxide lio  
476 LiO- lithium oxide anion lio-  
477 LiO+ lithium oxide cation lio+  
478 LiS Lithium monosulfide lis  
479 LiS+ Lithium sulfide cation lis+  
480 NaO sodium monoxide nao  
481 NaO- sodium oxide anion nao-  
482 NaO+ sodium oxide cation nao+  
483 KO Potassium monoxide ko  
484 KO+ Potassium monoxide cation ko+  
485 NaS Sodium sulfide nas  
486 CuO Copper Monoxide cuo  
487 LiSe Lithium monoselenide lise  
488 BeO beryllium oxide beo  
489 BeO- Beryllium monoxide anion beo-  
490 BeO+ Beryllium monoxide cation beo+  
491 BeS beryllium sulfide bes  
492 MgO magnesium oxide mgo  
493 MgO- magnesium oxide anion mgo-  
494 MgO+ magnesium oxide cation mgo+  
495 CaO Calcium monoxide cao  
496 MgS magnesium sulfide mgs  
497 MgS- magnesium sulfide anion mgs-  
498 MgS+ magnesium sulfide cation mgs+  
499 CaS Calcium sulfide cas  
500 ZnO zinc monoxide zno  
501 ZnS Zinc sulfide zns  
502 BeS- Beryllium monosulfide anion bes-  
503 BeS+ Beryllium monosulfide cation bes+  
504 BO- boron monoxide anion bo-  
505 AlO Aluminum monoxide alo  
506 AlO- Aluminum monoxide anion alo-  
507 AlO+ aluminum monoxide cation alo+  
508 BS boron sulfide bs  
509 BS- boron monosulfide anion bs-  
510 BS+ boron monosulfide cation bs+  
511 AlS Aluminum sulfide als  
512 AlS- aluminum monosulfide anion als-  
513 AlS+ aluminum monosulfide cation als+  
514 ScO Scandium monoxide sco  
515 GaO Gallium monoxide gao  
516 GaS Gallium monosulfide gas  
517 BO+ boron monoxide cation bo+  
518 CO- carbon monoxide anion co-  
519 CS carbon monosulfide cs  
520 CS- carbon monosulfide anion cs-  
521 CS+ carbon monosulfide cation cs+  
522 SiO Silicon monoxide sio  
523 SiO- silicon monoxide anion sio-  
524 SiO+ silicon monoxide cation sio+  
525 SiS silicon monosulfide sis  
526 SiS- silicon monosulfide anion sis-  
527 SiS+ silicon monosulfide cation sis+  
528 TiO Titanium monoxide tio  
529 CSe Carbon monoselenide cse  
530 CSe- Carbon monoselenide anion cse-  
531 CSe+ Carbon monoselenide cation cse+  
532 GeO Germanium monoxide geo  
533 GeO+ Germanium monoxide cation geo+  
534 GeS Germanium monosulfide ges  
535 SiSe Silicon Monoselenide sise  
536 SiSe+ Silicon Monoselenide cation sise+  
537 GeSe Germanium monoselenide gese  
538 NO- nitric oxide anion no-  
539 NO+ nitric oxide cation no+  
540 NS Mononitrogen monosulfide ns  
541 NS- nitrogen sulfide anion ns-  
542 NS+ nitrogen sulfide cation ns+  
543 PO Phosphorus monoxide po  
544 PO- phosphorus monoxide anion po-  
545 PO+ phosphorus monoxide cation po+  
546 PS phosphorus sulfide ps  
547 PS- phosphorus monosulfide anion ps-  
548 PS+ phosphorus monosulfide cation ps+  
549 VO Vanadium monoxide vo  
550 AsO Arsenic monoxide aso  
551 NSe Nitrogen monoselenide nse  
552 AsS Arsenic monosulfide ass  
553 PSe Phosphorus monoselenide pse  
554 AsSe Arsenic monoselenide asse  
555 O2- oxygen diatomic anion o2-  
556 O2-- dioxygen dianion o2--  
557 O2+ diatomic oxygen cation o2+  
558 SO- sulfur monoxide anion so-  
559 SO+ sulfur monoxide cation so+  
560 S2 Sulfur diatomic s2  
561 S2- sulfur diatomic anion s2-  
562 S2+ sulfur diatomic cation s2+  
563 SeO Selenium monoxide seo  
564 SeO- selenium monoxide anion seo-  
565 SeO+ selenium monoxide cation seo+  
566 SeS Selenium monosulfide ses  
567 SeS- selenium monosulfide anion ses-  
568 SeS+ selenium monosulfide cation ses+  
569 TeO Tellurium monoxide teo  
570 Se2 Selenium diatomic se2  
571 Se2- selenium diatomic anion se2-  
572 Se2+ selenium diatomic cation se2+  
573 Te2 Tellurium diatomic te2  
574 LiOH lithium hydroxide lioh  
575 NaOH sodium hydroxide naoh  
576 KOH Potassium hydroxide koh  
577 BeOH beryllium monohydroxide beoh  
578 MgOH magnesium hydroxide mgoh  
579 CaOH Calcium monohydroxide caoh  
580 HBO Boron hydride oxide hbo  
581 HBS hydrogen boron sulfide hbs  
582 COH Hydroxymethylidyne coh  
583 COH+ Carbon Monoxide, protonated coh+  
584 HCO Formyl radical hco  
585 HCO- formyl anion hco-  
586 HCO+ Formyl cation hco+  
587 HCS Thioformyl radical hcs  
588 HCS- Thioformyl anion hcs-  
589 HCS+ Thioformyl cation hcs+  
590 HNO Nitrosyl hydride hno  
591 HNO- Nitrosyl hydride anion hno-  
592 HNO+ Nitrosyl hydride cation hno+  
593 NOH Hydroxyimidogen noh  
594 NOH+ O-protonated nitric oxide noh+  
595 HNS Sulfur imide hns  
596 HNS- Sulfur imide anion hns-  
597 HO2 Hydroperoxy radical ho2  
598 HO2- Hydroperoxy anion ho2-  
599 HO2+ Hydroperoxy cation ho2+  
600 HSO+ Sulfur Monoxide, S-protonated HSO+  
601 SOH Sulfur Hydroxide soh  
602 SOH+ Sulfur Monoxide, protonated soh+  
603 HS2 Thiosulfeno radical hs2  
604 H2CO Formaldehyde h2co  
605 H2CO- formaldehyde anion h2co-  
606 H2CO+ formaldehyde cation h2co+  
607 HOCH hydroxycarbene hoch  
608 H2CS Thioformaldehyde h2cs  
609 H2CS- thioformaldehyde anion h2cs-  
610 H2CS+ thioformaldehyde cation h2cs+  
611 H2CSe Selenoformaldehyde h2cse  
612 H2NO nitroxide h2no  
613 H2O2 Hydrogen peroxide h2o2  
614 H2O2+ Hydrogen peroxide cation h2o2+  
615 H2OO water oxide h2oo  
616 HOSH hydrogen thioperoxide hosh  
617 H2S2 Disulfane h2s2  
618 H2S2+ hydrogen disulfide cation h2s2+  
619 H2Se2 hydrogen diselenide h2se2  
620 CH2OH Hydroxymethyl radical ch2oh  
621 CH2OH+ hydroxymethyl cation ch2oh+  
622 CH3O Methoxy radical ch3o  
623 CH3O- methoxy anion ch3o-  
624 CH3O+ Methoxy cation ch3o+  
625 CH3S thiomethoxy ch3s  
626 H2CSH+ Thioformaldehyde, protonated h2csh+  
627 NH2OH hydroxylamine nh2oh  
628 NH2OH+ Hydroxylamine cation nh2oh+  
629 NH3O Ammonia Oxide nh3o  
630 H2POH Phosphinous acid h2poh  
631 H3PO Phosphine oxide h3po  
632 NH2SH Thiohydroxylamine nh2sh  
633 NH3S sulfidoazane nh3s  
634 H3O2+ hydrogen peroxide, protonated h3o2+  
635 CH3OH Methyl alcohol ch3oh  
636 CH3OH- Methyl alcohol anion ch3oh-  
637 CH3OH+ Methyl alcohol cation ch3oh+  
638 CH3SH Methanethiol ch3sh  
639 CH3SH+ Methanethiol cation ch3sh+  
640 SiH3OH silanol sih3oh  
641 CH3SeH Methane selenol ch3seh  
642 NH2OH2+ protonated hydroxylamine nh2oh2+  
643 NH3OH+ N-protonated hydroxylamine nh3oh+  
644 H2OH2O water dimer h2oh2o  
645 CH3OH2+ Methanol, protonated ch3oh2+  
646 CH3SH2+ protonated methylsulfide ch3sh2+  
647 H2ONH3 Water Ammonia Dimer h2onh3  
648 H5O2+ Dihydroxonium ion h5o2+  
649 LiF lithium fluoride lif  
650 LiCl lithium chloride licl  
651 LiCl- lithium chloride anion licl-  
652 LiCl+ lithium chloride cation licl+  
653 NaF sodium fluoride naf  
654 NaF- sodium fluoride anion naf-  
655 NaF+ sodium fluoride cation naf+  
656 KF Potassium Fluoride kf  
657 NaCl Sodium Chloride nacl  
658 NaCl- sodium chloride anion nacl-  
659 NaCl+ sodium chloride cation nacl+  
660 KCl Potassium Chloride kcl  
661 CuF Copper monofluoride cuf  
662 LiBr Lithium Bromide libr  
663 LiBr- lithium bromide anion libr-  
664 LiBr+ lithium bromide cation libr+  
665 CuCl Copper monochloride cucl  
666 NaBr Sodium Bromide nabr  
667 NaBr- sodium bromide anion nabr-  
668 NaBr+ sodium bromide cation nabr+  
669 KBr Potassium Bromide kbr  
670 LiI Lithium Iodide lii  
671 NaI Sodium Iodide nai  
672 KI Potassium Iodide ki  
673 LiF- lithium fluoride anion lif-  
674 LiF+ lithium fluoride cation lif+  
675 BeF Beryllium monofluoride bef  
676 BeF- Beryllium monofluoride anion bef-  
677 BeF+ Beryllium monofluoride cation bef+  
678 BeCl beryllium monochloride becl  
679 MgF Magnesium monofluoride mgf  
680 MgF- magnesium fluoride anion mgf-  
681 MgF+ magnesium fluoride cation mgf+  
682 CaF Calcium monofluoride caf  
683 MgCl magnesium monochloride mgcl  
684 MgCl- magnesium monochloride anion mgcl-  
685 MgCl+ magnesium monochloride cation mgcl+  
686 CaCl calcium monochloride cacl  
687 TiCl Titanium Monochloride ticl  
688 ZnF Zinc monofluoride znf  
689 ZnF- Zinc monofluoride anion znf-  
690 ZnF+ Zinc monofluoride cation znf+  
691 ZnCl Zinc monochloride zncl  
692 CaBr Calcium monobromide cabr  
693 BeCl- beryllium monochloride anion becl-  
694 BeCl+ beryllium monochloride cation becl+  
695 BF Boron monofluoride bf  
696 BF- Boron monofluoride anion bf-  
697 BF+ Boron monofluoride cation bf+  
698 AlF Aluminum monofluoride alf  
699 AlF- Aluminum monofluoride anion alf-  
700 AlF+ Aluminum monofluoride cation alf+  
701 BCl boron monochloride bcl  
702 BCl- boron monochloride anion bcl-  
703 BCl+ boron monochloride cation bcl+  
704 AlCl Aluminum monochloride alcl  
705 AlCl- aluminum monochloride anion alcl-  
706 AlCl+ aluminum monochloride cation alcl+  
707 ScF Scandium monofluoride scf  
708 BBr Boron monobromide bbr  
709 GaF Gallium monofluoride gaf  
710 GaF+ Gallium monofluoride cation gaf+  
711 AlBr Aluminum monobromide albr  
712 GaCl Gallium monochloride gacl  
713 GaCl+ Gallium monochloride cation gacl+  
714 AlI Aluminum monoiodide ali  
715 GaBr Gallium monobromide gabr  
716 CF Fluoromethylidyne cf  
717 CF- carbon monofluoride anion cf-  
718 CF+ carbon monofluoride cation cf+  
719 CCl carbon monochloride ccl  
720 CCl- carbon monochloride anion ccl-  
721 CCl+ carbon monochloride cation ccl+  
722 SiF silicon monofluoride sif  
723 SiF- silicon monofluoride anion sif-  
724 SiF+ silicon monofluoride cation sif+  
725 SiCl Clorosilylidyne sicl  
726 SiCl- silicon monochloride anion sicl-  
727 SiCl+ silicon monochloride cation sicl+  
728 CBr Carbon monobromide cbr  
729 GeF Germanium monofluoride gef  
730 GeF+ Germanium monofluoride cation gef+  
731 GeCl Germanium monochloride gecl  
732 GeCl+ Germanium monochloride cation gecl+  
733 SiBr Silicon monobromide sibr  
734 SiBr+ Silicon monobromide cation sibr+  
735 NF nitrogen fluoride nf  
736 NF- nitrogen monofluorine anion nf-  
737 NF+ nitrogen monofluoirde cation nf+  
738 NCl nitrogen monochloride ncl  
739 NCl- nitrogen monochloride anion ncl-  
740 NCl+ nitrogen monochloride cation ncl+  
741 PF phosphorus monofluoride pf  
742 PF- phosphorus monofluoride anion pf-  
743 PF+ phosphorus monofluoride cation pf+  
744 PCl phosphorus chloride pcl  
745 PCl- phosphorus monochloride anion pcl-  
746 PCl+ phosphorus monochloride cation pcl+  
747 AsF Arsenic monofluoride asf  
748 NBr nitrogen monobromide nbr  
749 AsCl Arsenic monochloride ascl  
750 PBr Phosphorus monobromide pbr  
751 SbF Antimony monofluoride sbf  
752 SbCl Antimony monochloride sbcl  
753 FO Oxygen monofluoride fo  
754 FO- flourine oxide anion fo-  
755 FO+ fluorine monoxide cation fo+  
756 ClO Monochlorine monoxide clo  
757 ClO- chlorine monoxide anion clo-  
758 ClO+ chlorine monoxide cation clo+  
759 SF Monosulfur monofluoride sf  
760 SF- sulfur monofluoride anion sf-  
761 SF+ sulfur monofluoride cation sf+  
762 SCl sulfur monochloride scl  
763 SCl- sulfur monochloride anion scl-  
764 SCl+ sulfur monochloride cation scl+  
765 BrO Bromine monoxide bro  
766 BrO- Bromine monoxide anion bro-  
767 BrO+ Bromine monoxide cation bro+  
768 SeF Selenium monofluoride sef  
769 SBr Sulfur monobromide radical sbr  
770 SBr+ Sulfur monobromide cation sbr+  
771 SeCl Selenium monochloride secl  
772 IO Iodine monoxide io  
773 SeBr Selenium monobromide sebr  
774 BrCl Bromine monochloride brcl  
775 F2- flourine diatomic anion f2-  
776 F2+ flourine diatomic cation f2+  
777 ClF Chlorine monofluoride clf  
778 ClF- clorine monofluoride anion clf-  
779 ClF+ clorine monofluoride cation clf+  
780 Cl2- chlorine diatomic anion cl2-  
781 Cl2+ chlorine diatomic cation cl2+  
782 BrF Bromine monofluoride brf  
783 BrF- bromine fluoride anion brf-  
784 BrF+ bromine fluoride cation brf+  
785 BrCl- bromine chloride anion brcl-  
786 BrCl+ bromine chloride cation brcl+  
787 IF Iodine monofluoride if  
788 Br2 Bromine diatomic br2  
789 Br2- bromine diatomic anion br2-  
790 Br2+ bromine diatomic cation br2+  
791 ICl Iodine monochloride icl  
792 IBr Iodine monobromide ibr  
793 I2 Iodine diatomic i2  
794 I2+ Iodine diatomic cation i2+  
795 HCF Fluoromethylene hcf  
796 HCCl Chloromethylene hccl  
797 HSiF fluorosilylene hsif  
798 HSiCl Chlorosilylene hsicl  
799 HSiBr monobromosilylene hsibr  
800 CHBr bromomethylene chbr  
801 HOF Hypofluorous acid hfo  
802 DOCl Hypochlorous acid-d docl  
803 HOCl hypochlorous acid hocl  
804 HOCl+ hypochlorous acid cation hocl+  
805 HOBr Hypobromous acid hobr  
806 HOBr+ Hypobromous acid cation hobr+  
807 HOI Hypoiodous acid hoi  
808 F2H+ Fluorine, protonated f2h+  
809 FHF Hydrogen difluoride fhf  
810 FHF- Hydrogen difluoride anion fhf-  
811 ClFH+ Chlorine fluoride, F-protonated clfh+  
812 FClH+ Chlorine fluoride, Cl-protonated fclh+  
813 Cl2H+ Chlorine, protonated cl2h+  
814 CH2Br bromomethyl radical ch2br  
815 CH2F fluoromethyl radical ch2f  
816 CH2F+ fluoromethyl cation ch2f+  
817 CH2Cl+ chloromethyl cation ch2cl+  
818 CH2Cl chloromethyl radical ch2cl  
819 NH2F monofluoroamine nh2f  
820 NH2Cl chloramine nh2cl  
821 H2F2 Hydrogen fluoride dimer h2f2  
822 CH3F+ methyl fluoride cation ch3f+  
823 CD3F methylfluoride-d3 cd3f  
824 CH3F Methyl fluoride ch3f  
825 CD3Cl methyl chloride d3 cd3cl  
826 CH3Cl Methyl chloride ch3cl  
827 CH3Cl+ Methyl chloride cation ch3cl+  
828 SiH3F monofluorosilane sih3f  
829 SiH3Cl chlorosilane sih3cl  
830 CH3Br methyl bromide ch3br  
831 GeH3F monofluorogermane geh3f  
832 GeH3Cl monochlorogermane geh3cl  
833 SiH3Br bromosilane sih3br  
834 CH3I methyl iodide ch3i  
835 SiH3I Silyl Iodide sih3i  
836 NH3Cl+ protonated monochloroammonia nh3cl+  
837 CH3ClH+ methyl chloride, protonated ch3clh+  
838 NH4Cl Ammonium chloride nh4cl  
839 LiNe+ Lithium Neon cation line+  
840 Ne2 Neon diatomic ne2  
841 Ne2+ Neon diatomic cation ne2+  
842 Ar2 Argon diatomic ar2  
843 Ar2+ Argon diatomic cation ar2+  
844 Li3 Lithium trimer li3  
845 Li3+ Lithium trimer cation li3+  
846 C3 carbon trimer c3  
847 C3+ carbon trimer cation c3+  
848 SiC2 Silicon dicarbide sic2  
849 C3H3 cyclopropenyl radical cpr  
850 C3H3 Propargyl radical propargyl  
851 C3H3- Propargyl anion c3h3-  
852 C3H3+ cyclopropenyl cation cpr+  
853 C3H3+ Propargyl cation c3h3+  
854 C3H4 cyclopropene cprop  
855 CH2CCH2 allene allene  
856 CH3CCH propyne propyne  
857 C3H5 Allyl radical allyl  
858 C3H5+ Allyl cation allyl+  
859 CH3CHCH 1-propenyl radical ch3chch  
860 Zn(CH3)2 dimethyl zinc dmz  
861 C3H6 Cyclopropane c3h6  
862 CH2CHCH3 Propene propene  
863 C3H7 n-Propyl radical npropyl  
864 C3H7+ cyclopropane, protonated c3h7+  
865 CH3CHCH3 Isopropyl radical isopropyl  
866 CH3CHCH3+ Isopropyl cation prop2yl+  
867 C3H8 Propane propane  
868 SiH2(CH3)2 dimethylsilane dms  
869 Si3H8 trisilane si3h8  
870 LiCN lithium cyanide licn  
871 NaCN Sodium Cyanide nacn  
872 KCN Potassium cyanide kcn  
873 CuCN Copper cyanide cucn  
874 ZnCN Zinc monocyanide zncn  
875 ZnNC Zinc isocyanide znnc  
876 AlCN Aluminum monocyanide alcn  
877 AlNC Aluminum isocyanide alnc  
878 CN2 3H-Diazirin-3-ylidene cn2  
879 CNN Diazocarbene cnn  
880 NCN Cyanoimidogen ncn  
881 N3 azide radical n3  
882 N3- azide anion n3-  
883 N3+ azide cation n3+  
884 HCCN cyanomethylene hccn  
885 HCNN diazomethyl radical hcnn  
886 HN3 hydrogen azide hn3  
887 HN3+ Hydrazoic acid cation hn3+  
888 HNCNH diiminomethane hncnh  
889 CH2N2 diazirine ch2n2  
890 CH2NN diazomethane ch2nn  
891 NH2CN cyanamide cyanamide  
892 HNNNH+ 1,2-Triazadienium n2h3+  
893 NH2NN+ hydrazoic acid, protonated nh2nn+  
894 CH3CN Acetonitrile ch3cn  
895 CH3CN- acetonitrile anion ch3cn-  
896 CH3CN+ Acetonitrile cation ch3cn+  
897 CH3NC methyl isocyanide ch3nc  
898 CHNCH2 2H-Azirine c157164  
899 CHNHCH 1H-Azirine chnhch  
900 H2CCNH Ethenimine ch2cnh  
901 H2CNCH methyleneaminomethylene ch2nch  
902 HCCNH2 Ethynamine hccnh2  
903 HCNCH2+ 2H-Azirine cation hcnch2+  
904 HNCNH2+ diiminomethane, protonated hncnh2+  
905 NCNH3+ Cyanamide, protonated ncnh3+  
906 NH2CNH+ cyanamide, cn protonated nh2cnh+  
907 NH3CN+ cyanamide, amine protonated nh3cn+  
908 CH2CHNH vinylazine ch2chnh  
909 CH3CHN methylmethaniminyl radical ch3chn  
910 NHCHNH2 aminomethanimine cn2h4  
911 C2H5N Aziridine c2h5n  
912 CH2CHNH2 aminoethene aminoethene  
913 CH2NCH3 N-methylmethanimine nmm  
914 CH3CHNH ethanimine ethanimine  
915 NH2BHNH2 diaminoborane nh2bhnh2  
916 C2H5NH+ Protonated Aziridine c2h5nh+  
917 C2H6N+ aziridine, protonated c2h6n+  
918 NH2CH2NH2 diaminomethane nh2ch2nh2  
919 CH3CH2NH2 Ethylamine etam  
920 CH3NHCH3 Dimethylamine ch3nhch3  
921 CH3PHCH3 dimethylphosphine ch3phch3  
922 NH2CH2NH3+ diaminoethane, protonated pdam  
923 (CH3)2NH2+ dimethylammonium cation dmam  
924 CH3CH2NH3+ ethylamine, protonated pea  
925 Li2O dilithium oxide li2o  
926 Li2O+ dilithium oxide cation li2o+  
927 Li2S dilithium sulfide li2s  
928 Na2O disodium monoxide na2o  
929 Na2S Sodium sulfide na2s  
930 LiO2 Lithium dioxide lio2  
931 NaO2 Sodium superoxide nao2  
932 CCO Dicarbon monoxide cco  
933 CNO- fulminate cno-  
934 NCO isocyanato radical nco  
935 NCO- cyanate nco-  
936 SCN thiocyanato radical scn  
937 SCN- thiocyanide anion scn-  
938 BO2 Boron dioxide bo2  
939 BO2- Boron dioxide anion bo2-  
940 BO2+ Boron dioxide cation bo2+  
941 N2O Nitrous oxide n2o  
942 N2O- Nitrous oxide anion n2o-  
943 N2O+ Nitrous oxide cation n2o+  
944 NNS Nitrogen sulfide nns  
945 PPO Phosphorus oxide phosphide ppo  
946 CO2- Carbon dioxide anion co2-  
947 CO2+ Carbon dioxide cation co2+  
948 OCS Carbonyl sulfide cos  
949 OCS+ Carbonyl sulfide cation cos+  
950 SiO2 silicon dioxide sio2  
951 CS2 Carbon disulfide cs2  
952 CS2- Carbon disulfide anion cs2-  
953 CS2+ Carbon disulfide cation cs2+  
954 TiO2 Titanium dioxide tio2  
955 SiS2 Silicon disulfide sis2  
956 GeO2 Germanium dioxide geo2  
957 OCSe Carbonyl selenide ocse  
958 SCSe Carbon sulfide selenide scse  
959 GeS2 Germanium disulfide ges2  
960 CSe2 Carbon diselenide cse2  
961 SCTe Carbon sulfide Telluride scte  
962 NO2 Nitrogen dioxide no2  
963 NO2- Nitrogen dioxide anion no2-  
964 NO2+ Nitrogen dioxide cation no2+  
965 NSO sulfinyl amidogen NSO  
966 PO2 Phosphorus dioxide po2  
967 PO2- Phosphorus dioxide anion po2-  
968 PO2+ Phosphorus dioxide cation po2+  
969 SNO Nitrogen oxide sulfide sno  
970 AsO2 Aresenic dioxide aso2  
971 O3 Ozone o3  
972 O3- Ozone anion o3-  
973 O3+ Ozone cation o3+  
974 SO2 Sulfur dioxide so2  
975 SO2- Sulfur dioxide anion so2-  
976 SO2+ Sulfur dioxide cation so2+  
977 SSO Disulfur monoxide sso  
978 S3 Sulfur trimer s3  
979 S3- Sulfur trimer anion s3-  
980 S3+ Sulfur trimer cation s3+  
981 SeO2 Selenium dioxide seo2  
982 SeO2+ Selenium dioxide cation seo2+  
983 TeO2 Tellurium Dioxide teo2  
984 HCCO ketenyl radical ketenyl  
985 CS2H+ Carbon disulfide, protonated cs2h+  
986 HCNO fulminic acid hcno  
987 HNCO Isocyanic acid hnco  
988 HOCN cyanic acid hocn  
989 HNCS Isothiocyanic acid hncs  
990 HSCN thiocyanic acid hscn  
991 HCO2- formate anion hco2-  
992 HNNO nitrosoazane hnno  
993 HNNO+ Nitrous oxide, N-protonated hnno+  
994 NNOH+ Nitrous Oxide, O-protonated nnoh+  
995 HCOO formate neutral radical hcoo  
996 HOCO Hydrocarboxyl radical hoco  
997 HOCO+ Hydrocarboxyl cation hoco+  
998 HNO2 Nitrous acid hno2  
999 HNO2+ nitrous acid cation hno2+  
1000 O3H+ protonated ozone o3h+  
1001 SO2H+ protonated sulfur dioxide so2h+  
1002 C2H2O Oxirene oxirene  
1003 CH2CO Ketene ch2co  
1004 CH2CO+ Ketene cation ch2co+  
1005 HCCOH ethynol hccoh  
1006 CH2CS Thioketene ch2cs  
1007 Be(OH)2 Beryllium hydroxide beo2h2  
1008 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1009 NH2NO Nitrosamide nh2no  
1010 CH2O2 Dioxirane diox  
1011 H2COO Dioxymethyl radical h2coo  
1012 H2COO+ dioxymethyl cation h2coo+  
1013 HCOOH Formic acid ch2o2  
1014 H2O3 Hydrogen trioxide h2o3  
1015 HSSSH trisulfane hsssh  
1016 NaOCH3 Sodium methoxide naoch3  
1017 CH2BOH hydroxy(methylene)borane ch2boh  
1018 CH3BO Borane, methyloxo- ch3bo  
1019 CH2CHO Vinyloxy radical ch2cho  
1020 CH2COH+ ketene, protonated ch2coh+  
1021 CH3CO Acetyl radical ch3co  
1022 CH3CO- Acetyl anion ch3co-  
1023 CH3CO+ acetyl cation ch3co+  
1024 CH2NOH formaldoxime ch2noh  
1025 CH3NO nitrosomethane ch3no  
1026 CHONH2 formamide formamide  
1027 CNOH3 1,2-oxaziridine cnoh3  
1028 HOCHNH hydroxymethylimine hochnh  
1029 CHSNH2 thioformamide chsnh2  
1030 NHCHSH Methanimidothioic acid nhchsh  
1031 CH2OOH CH2OOH radical ch2ooh  
1032 CH3OO methylperoxy radical ch3oo  
1033 CH3OO- methylperoxy anion ch3oo-  
1034 CH3OO+ methylperoxy cation ch3oo+  
1035 C2H4O Ethylene oxide c2h4o  
1036 C2H4O+ ethylene oxide cation c2h4o+  
1037 CH2CHOH ethenol ch2choh  
1038 CH3CHO Acetaldehyde ch3cho  
1039 CH3CHO+ acetaldehyde cation ch3cho+  
1040 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1041 C2H4S Thiirane thiirane  
1042 CH2CHSH Ethenethiol ch2chsh  
1043 CH3CHS Thioacetaldehyde ch3chs  
1044 H2CONH2+ protonated formamide h2conh2+  
1045 NH2CHOH+ Formamide, O-protonated nh2choh+  
1046 NH3CHO+ Formamide, N-Protonated nh3cho+  
1047 CH2(OH)2 methanediol ch2o2h2  
1048 CH3OOH Methyl peroxide ch3ooh  
1049 CH3SSH Hydrogen methyl disulfide ch3ssh  
1050 HSCH2SH Methanedithiol ch4s2  
1051 H2OH2CO water formaldehyde dimer h2oh2co  
1052 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1053 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1054 CH3CH2O Ethoxy radical ethoxy  
1055 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1056 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1057 CH3OCH2 methoxymethyl radical ch3och2  
1058 NH2CH2OH aminomethanol nh2ch2oh  
1059 CH3CH2OH Ethanol etoh  
1060 CH3OCH3 Dimethyl ether meome  
1061 CH3CH2SH ethanethiol etsh  
1062 CH3SCH3 Dimethyl sulfide mesme  
1063 CH3SCH3+ dimethyl sulfide cation mesme+  
1064 CH3SeCH3 dimethylselenide dmse  
1065 CH3OHH2O methanol water dimer ch3ohh2o  
1066 H2OCH3OH water methanol dimer h2och3oh  
1067 CuF2 Copper difluoride cuf2  
1068 ZnF2 Zinc difluoride znf2  
1069 CNF iso cyanogen fluoride cnf  
1070 FCN Cyanogen fluoride fcn  
1071 ClCN chlorocyanogen clcn  
1072 BrCN Cyanogen bromide brcn  
1073 ICN Cyanogen iodide icn  
1074 FBO Boron monofluoride monoxide fbo  
1075 BeF2 Beryllium fluoride bef2  
1076 MgF2 Magnesium fluoride mgf2  
1077 BeCl2 Beryllium chloride becl2  
1078 MgCl2 Magnesium dichloride mgcl2  
1079 CaCl2 Calcium Chloride cacl2  
1080 ZnCl2 Zinc dichloride zncl2  
1081 BeBr2 Beryllium bromide bebr2  
1082 CaBr2 Calcium dibromide cabr2  
1083 CaF2 Calcium difluoride caf2  
1084 FCO Carbonyl fluoride fco  
1085 FCO+ Carbonyl fluoride cation fco+  
1086 ClCO carbonyl monochloride clco  
1087 BF2 Boron difluoride radical bf2  
1088 FNO Nitrosyl fluoride fno  
1089 ClNO Nitrosyl chloride clno  
1090 FNS Thionitrosyl fluoride fns  
1091 FSN Thiazyl fluoride fsn  
1092 OPCl Phosphorus oxychloride opcl  
1093 BrNO Nitrosyl bromide brno  
1094 INO Nitrosyl iodide ino  
1095 CF2 Difluoromethylene cf2  
1096 CF2- Difluoromethylene anion cf2-  
1097 CF2+ Difluoromethylene cation cf2+  
1098 CFCl chlorofluoromethylene cfcl  
1099 SiF2 Silicon difluoride sif2  
1100 SiF2+ Silicon difluoride cation sif2+  
1101 CCl2 dichloromethylene ccl2  
1102 CCl2- dichloromethylene anion ccl2-  
1103 CCl2+ dichloromethylene cation ccl2+  
1104 SiCl2 Dichlorosilylene sicl2  
1105 GeF2 Germanium difluoride gef2  
1106 GeCl2 Germanium dichloride gecl2  
1107 CBr2 dibromomethylene cbr2  
1108 FOO Dioxygen monofluoride radical foo  
1109 FOO+ Fluorine dioxide cation foo+  
1110 ClOO chloroperoxy radical cloo  
1111 ClOO+ chloroperoxy cation cloo+  
1112 OClO Chlorine dioxide oclo  
1113 OClO- Chlorine dioxide anion oclo-  
1114 OClO+ Chlorine dioxide cation oclo+  
1115 ClSO Sulfur chloride oxide clso  
1116 ClS2 Sulfur chloride cls2  
1117 BrOO Bromine dioxide broo  
1118 OBrO Bromine dioxide radical obro  
1119 NF2 Difluoroamino radical nf2  
1120 NF2+ Difluoroamino cation nf2+  
1121 PF2 Phosphorus difluoride pf2  
1122 PF2+ Phosphorus difluoride cation pf2+  
1123 FClO chlorosyl fluoride fclo  
1124 F2O Difluorine monoxide f2o  
1125 ClOF Chlorine hypofluorite clof  
1126 SF2 sulfur difluoride sf2  
1127 SF2- sulfur difluoride anion sf2-  
1128 SF2+ sulfur difluoride cation sf2+  
1129 Cl2O Dichlorine monoxide cl2o  
1130 SCl2 Sulfur dichloride scl2  
1131 SeF2 Selenium difluoride sef2  
1132 BrOCl Bromine hypochlorite brocl  
1133 SeCl2 Selenium Dichloride secl2  
1134 SBr2 Sulfur dibromide sbr2  
1135 SeBr2 Selenium dibromide sebr2  
1136 BrOBr Bromine oxide brobr  
1137 F3- trifluoride anion f3-  
1138 Cl3- trichloride anion cl3-  
1139 Br3- tribromide anion br3-  
1140 I3- triiodide i3-  
1141 SFCl Sulfur chloride fluoride sfcl  
1142 HCCF Fluoroacetylene hccf  
1143 HCCF+ fluoroacetylene cation hccf+  
1144 HCCCl Chloroacetylene hcccl  
1145 HCCBr bromoacetylene hccbr  
1146 HFCO formyl fluoride hfco  
1147 HFCO+ formyl fluoride cation hfco+  
1148 COHCl Formyl chloride cohcl  
1149 COHBr Formyl bromide cohbr  
1150 BHF2 Difluoroborane bhf2  
1151 BHCl2 Borane, dichloro- bhcl2  
1152 CHCl2 dichloromethyl radical chcl2  
1153 CHF2 difluoromethyl radical chf2  
1154 CHF2+ difluoromethyl cation chf2+  
1155 CHFCl Chlorofluoromethyl radical chfcl  
1156 CHFCl+ Chlorofluoromethyl cation chfcl+  
1157 CHCl2+ dichloromethyl cation chcl2+  
1158 CHBr2 dibromomethyl radical chbr2  
1159 HOClO Chlorous acid hoclo  
1160 NHF2 difluoramine nhf2  
1161 NHCl2 dichloroamine nhcl2  
1162 CH2F2 Methane, difluoro- ch2f2  
1163 CH2FCl fluorochloromethane ch2fcl  
1164 SiH2F2 difluorosilane sih2f2  
1165 CH2Cl2 Methylene chloride ch2cl2  
1166 CH2BrF Methane, bromofluoro- ch2fbr  
1167 CH2BrCl Methane, bromochloro- ch2clbr  
1168 CH2FI fluoroiodomethane ch2fi  
1169 CH2Br2 dibromomethane ch2br2  
1170 CH2ClI chloroiodomethane ch2cli  
1171 CH2BrI bromoiodomethane ch2bri  
1172 CH2I2 Diiodomethane ch2i2  
1173 SiH2Cl2 dichlorosilane sih2cl2  
1174 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1175 CH2CHF Ethene, fluoro- ch2chf  
1176 CH2CHF+ fluoroethene cation ch2chf+  
1177 C2H3Cl Ethene, chloro- ch2chcl  
1178 C2H3Br vinyl bromide c2h3br  
1179 C2H3I Vinyl iodide c2h3i  
1180 CH2FOH fluoromethanol ch2foh  
1181 CH3OCl methyl hypochlorite ch3ocl  
1182 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1183 CHClCH3 1-chloroethyl radical chclch3  
1184 C2H5F fluoroethane c2h5f  
1185 CH3CH2Cl Ethyl chloride c2h5cl  
1186 CH3SiFH2 fluoromethylsilane ch3sifh2  
1187 C2H5Br Ethyl bromide etbr  
1188 C2H5I Ethyl iodide c2h5i  
1189 KrF2 Krypton difluoride krf2  
1190 XeF2 Xenon difluoride xef2  
1191 B4H10 Tetraborane(10) b4h10  
1192 C4 Carbon tetramer c4  
1193 C4+ Carbon tetramer cation c4+  
1194 C4H2 Diacetylene c4h2  
1195 C4H2+ diacetlyene cation c4h2+  
1196 C2H3CCH 1-Buten-3-yne c2h3cch  
1197 C4H4 cyclobutadiene cbd  
1198 C4H4 Tetrahedrane c4h4  
1199 H2CCCCH2 Butatriene h2cccch2  
1200 C4H6 1-Methylcyclopropene c3100047  
1201 C4H6 Cyclobutene c822355  
1202 C4H6 Methylenecyclopropane c6142730  
1203 CH2CCHCH3 1,2-Butadiene butad12  
1204 CH2CHCHCH2 1,3-Butadiene c106990  
1205 CH3CCCH3 2-Butyne c503173  
1206 CHCCH2CH3 1-Butyne c107006  
1207 CH3CHCHCH2 methylallyl radical c4h7  
1208 C4H8 methylcyclopropane mcp  
1209 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1210 CH2CHCH2CH3 1-Butene bute1  
1211 CH3CHCHCH3 2-Butene, (E)- bute2e  
1212 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1213 B(CH3)3 trimethylborane bme3  
1214 Al(CH3)3 trimethyl aluminum tma  
1215 C(CH3)3 Tert-butyl radical tbutyl  
1216 CH2CH(CH3)2 Isobutyl radical isobutyl  
1217 CH3CHCH2CH3 2-Butyl radical butyl2  
1218 CH3CH(CH3)CH3 Isobutane isobutane  
1219 CH3CH2CH2CH3 Butane butane  
1220 SiH(CH3)3 trimethylsilane trimsi  
1221 Li3N trilithium nitride li3n  
1222 C2N2 Cyanogen c2n2  
1223 C2N2+ Cyanogen cation c2n2+  
1224 P4 Phosphorus tetramer p4  
1225 As4 Arsenic tetramer as4  
1226 HCCCN Cyanoacetylene hcccn  
1227 HCCCN+ Cyanoacetylene cation hcccn+  
1228 H2CNCN cyanamide, methylene ch2ncn  
1229 HNCCNH Ethenediimine hnccnh  
1230 C3H3N acrylonitrile ch2chcn  
1231 C3H3N+ acrylonitrile cation ch2chcn+  
1232 CH3N3 methyl azide ch3n3  
1233 NH2CCNH2 Diaminoacetylene daa  
1234 NH2CH2CN Aminoacetonitrile aan  
1235 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1236 C2H5CN ethyl cyanide c2h5cn  
1237 CH5N3 Guanidine guanidine  
1238 C4H6 Bicyclo[1.1.0]butane c157335  
1239 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1240 H2NCHCHNH2 diaminoethylene dae  
1241 CH6N3+ guanidinium ch6n3+  
1242 C3H7N Cyclopropylamine cpram  
1243 CH7N3 triaminomethane tam  
1244 C3H7N Azetidine azet  
1245 C4H8 cyclobutane cbutane  
1246 C2H8N2 Ethylenediamine ethdiam  
1247 CH3NHNHCH3 dimethyl hydrazine dmh  
1248 CH3CH(NH2)CH3 2-Propanamine pram2  
1249 N(CH3)3 Trimethylamine trimeam  
1250 NH2CH2CH2CH3 1-Propanamine pram1  
1251 P(CH3)3 trimethylphosphine tmp  
1252 N(SiH3)3 trisilylamine tsa  
1253 As(CH3)3 trimethyl arsine tmas  
1254 (CH3)3NH+ protonated trimethyl amine ptma  
1255 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1256 Li2O2 dilithium dioxide li2o2  
1257 Na2O2 disodium dioxide na2o2  
1258 K2O2 dipotassium dioxide k2o2  
1259 C3O Tricarbon monoxide c3o  
1260 B2O2 Diboron dioxide b2o2  
1261 ONNO NO dimer onno  
1262 S2N2 Disulfur dinitride s2n2  
1263 CO3 Carbon trioxide co3  
1264 CO3-- carbonate co3--  
1265 CS3-- Carbonotrithioate cs3--  
1266 NO3 Nitrogen trioxide no3  
1267 NO3- nitrate anion no3-  
1268 NO3+ nitrogen trioxide cation no3+  
1269 SO3 Sulfur trioxide so3  
1270 SO3- Sulfur trioxide anion so3-  
1271 SO3-- Sulfate dianion so3--  
1272 SO3+ Sulfur trioxide cation so3+  
1273 SeO3 selenium trioxide seo3  
1274 S4 Sulfur tetramer s4  
1275 TeO3 Tellurium trioxide teo3  
1276 HCO3- bicarbonate anion hco3-  
1277 HNO3 Nitric acid hno3  
1278 HSO3 Hydroxysulfonyl radical hso3  
1279 NH2NO2 nitramide nh2no2  
1280 C2H2CO cyclopropenone c2h2co  
1281 C3H2O Propadienal c3h2o  
1282 HCCCHO 2-propynal hcccho  
1283 C2H2O2 Ethanedial c2h2o2  
1284 C2H2O2+ Ethanedial cation c2h2o2+  
1285 H2CO3 Carbonic acid h2co3  
1286 H2CS3 thiocarbonic acid h2cs3  
1287 H2NO3+ Nitric Acid, Protonated h2no3+  
1288 H2SO3 Sulfurous acid h2so3  
1289 C2H3NO Nitrosoethylene c2h3no  
1290 CH3NCO methylisocyante ch3nco  
1291 HOCH2CN cyanomethanol hoch2cn  
1292 CH3COO- acetate anion ch3coo-  
1293 CH3NO2 Methane, nitro- ch3no2  
1294 CH3ONO Methyl nitrite ch3ono  
1295 NH2COOH Carbamic acid nh2cooh  
1296 H3BO3 Boric acid h3bo3  
1297 H3AlO3 Aluminum hydroxide h3alo3  
1298 H3CO3+ carbonic acid, protonated h3co3+  
1299 C3H4O 2-Propyn-1-ol c107197  
1300 C3H4O allenol c9000071  
1301 C3H4O Cyclopropanone cpone  
1302 C3H4O Methylketene c6004440  
1303 CH2CHCHO Acrolein c3h4o  
1304 NH2CONH2 Urea urea  
1305 NH2CONH2+ Urea cation urea+  
1306 NH2CSNH2 Thiourea thiourea  
1307 C2H4O2 1,3-dioxetane c2h4o2  
1308 CH3COOH Acetic acid ch3cooh  
1309 CH3OCHO methyl formate ch3ocho  
1310 CHOCH2OH hydroxy acetaldehyde haa  
1311 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1312 NH3COOH+ protonated Carbamic acid nh3cooh+  
1313 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1314 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1315 HCOOHH2O Formic acid water dimer hcoohh2o  
1316 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1317 CH3COCH2 Acetonyl radical ch3coch2  
1318 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1319 CH3C(OH)=NH Ethaninidic acid eia  
1320 CH3CHNOH Acetaldoxime acetaldoxime  
1321 CH3CONH2 Acetamide acetamide  
1322 HCONHCH3 N-methylformamide nmfa  
1323 CH3CSNH2 Ethanethioamide ch3csnh2  
1324 CH5N2O+ urea, N-protonated ch4n2o+  
1325 H2NCOHNH2+ urea, protonated ureah+  
1326 C2H5OO ethylperoxy radical c2h5oo  
1327 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1328 C3H5OH Cyclopropanol cproh  
1329 C3H6O 2-Propen-1-ol c107186  
1330 C3H6O Acetone enol enol  
1331 C3H6O Oxetane oxetane  
1332 C3H6O Propylene oxide prox  
1333 CH3CH2CHO Propanal propanal  
1334 CH3COCH3 Acetone acetone  
1335 CH3COCH3- acetone anion ch3coch3-  
1336 C3H6S Thietane thietane  
1337 C3H6S Thiirane, methyl- methiirane  
1338 CH3CSCH3 Thioacetone ch3csch3  
1339 C2H6O2 1,2-Ethanediol ethdiol  
1340 CH3OOCH3 dimethylperoxide dmp  
1341 CH3SOCH3 Dimethyl sulfoxide dmso  
1342 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1343 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1344 CH3COHCH3+ acetone, protonated acetoneh+  
1345 HOCH2CH2NH2 monoethanolamine mea  
1346 C3H7OH 1-Propanol proh  
1347 CH3CHOHCH3 Isopropyl alcohol isoproh  
1348 CH3OC2H5 Ethane, methoxy- etome  
1349 C3H7SH 1-Propanethiol prsh  
1350 CH3CHSHCH3 2-Propanethiol isoprsh  
1351 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1352 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1353 Li2F2 Lithium fluoride dimer li2f2  
1354 Na2F2 Sodium Fluoride Dimer na2f2  
1355 Na2Cl2 Disodium dichloride na2cl2  
1356 C2F2 difluoroacetylene c2f2  
1357 C2Cl2 dichloroacetylene c2cl2  
1358 C2Cl2+ dichloroacetylene cation c2cl2+  
1359 FNO2 Nitryl fluoride fno2  
1360 FONO Nitrosyl hypofluorite fono  
1361 ClNO2 Nitryl chloride clno2  
1362 ClONO chlorine nitrite clono  
1363 BrONO Bromine nitrite brono  
1364 N2F2 (Z)-Difluorodiazene n2f2_z  
1365 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1366 CF2O Carbonic difluoride f2co  
1367 CF2O+ Carbonic difluoride cation f2co+  
1368 COFCl Carbonic chloride fluoride cofcl  
1369 CCl2O Phosgene cl2co  
1370 Cl2CS Thiophosgene cl2cs  
1371 COBr2 Carbonic dibromide cobr2  
1372 BF3 Borane, trifluoro- bf3  
1373 BF3- Borane, trifluoro- anion bf3-  
1374 BF3+ boron trifluoride cation bf3+  
1375 AlF3 Aluminum trifluoride alf3  
1376 BClF2 Chlorodifluoroborane bclf2  
1377 AlF2Cl Aluminum chloride difluoride alclf2  
1378 ScF3 Scandium trifluoride ScF3  
1379 AlFCl2 Aluminum dichloride fluoride alcl2f  
1380 BCl3 Borane, trichloro- bcl3  
1381 BCl3+ Boron Trichloride cation bcl3+  
1382 GaF3 Gallium trifluoride gaf3  
1383 AlCl3 Aluminum trichloride alcl3  
1384 GaCl3 Gallium trichloride gacl3  
1385 BBr3 Boron tribromide bbr3  
1386 AlBr3 Aluminum Bromide albr3  
1387 ClO3 Chlorine trioxide clo3  
1388 ClO3- chlorate anion clo3-  
1389 BrO3- Bromate anion bro3-  
1390 CF3 Trifluoromethyl radical cf3  
1391 CF3- Trifluoromethyl anion cf3-  
1392 CF3+ Trifluoromethyl cation cf3+  
1393 CF2Cl difluorochloromethyl radical cf2cl  
1394 SiF3 Silicon trifluoride radical sif3  
1395 SiF3+ Silicon trifluoride cation sif3+  
1396 CFCl2 dichlorofluoromethyl radical cfcl2  
1397 CCl3 Trichloromethyl radical ccl3  
1398 CCl3- Trichloromethyl anion ccl3-  
1399 CCl3+ Trichloromethyl cation ccl3+  
1400 SiCl3 trichlorosilyl radical sicl3  
1401 SiCl3+ trichlorosilyl cation sicl3+  
1402 CBr3 tribromomethyl radical cbr3  
1403 FOOF Perfluoroperoxide foof  
1404 ClO2F Chloryl fluoride clo2f  
1405 F2SO Thionyl Fluoride f2so  
1406 ClOOCl Dichlorine dioxide cloocl  
1407 FSSF Difluorodisulfane fssf  
1408 S2F2 Thio-thionyl fluoride s2f2  
1409 SOCl2 thionyl chloride socl2  
1410 SSCl2 Thiothionyl chloride sscl2  
1411 SeOCl2 selenium oxychloride seocl2  
1412 NF3 Nitrogen trifluoride nf3  
1413 NF3- Nitrogen trifluoride anion nf3-  
1414 NF3+ Nitrogen trifluoride cation nf3+  
1415 PF3 Phosphorus trifluoride pf3  
1416 NCl3 nitrogen trichloride ncl3  
1417 AsF3 Arsenic trifluoride asf3  
1418 PCl3 Phosphorus trichloride pcl3  
1419 SbF3 Antimony Trifluoride sbf3  
1420 AsCl3 Arsenous trichloride ascl3  
1421 SbCl3 Antimony Trichloride sbcl3  
1422 NBr3 Nitrogen Tribromide nbr3  
1423 PBr3 Phosphorus tribromide pbr3  
1424 AsBr3 Arsenic tribromide asbr3  
1425 NI3 Nitrogen triiodide ni3  
1426 PI3 Phosphorus triiodide pi3  
1427 ClSSCl Disulfur dichloride s2cl2  
1428 SF3 Sulfur trifluoride sf3  
1429 ClF3 Chlorine trifluoride clf3  
1430 BrF3 Bromine trifluoride brf3  
1431 IF3 iodone trifluoride if3  
1432 HClO3 Chloric Acid hclo3  
1433 CHF3 Methane, trifluoro- chf3  
1434 CHF2Cl difluorochloromethane chf2cl  
1435 SiHF3 trifluorosilane sihf3  
1436 CHFCl2 fluorodichloromethane chfcl2  
1437 CDCl3 trichloromethane-d cdcl3  
1438 CHCl3 Chloroform chcl3  
1439 CHBrF2 Methane, bromodifluoro- chbrf2  
1440 SiHCl3 Trichlorosilane sihcl3  
1441 CHFClBr fluorochlorobromomethane chfclbr  
1442 CHBrCl2 Methane, bromodichloro- chbrcl2  
1443 CHF2I difluoroiodomethane chf2i  
1444 CHBr2F dibromofluoromethane chbr2f  
1445 CHFClI fluorochloroiodomethane chfcli  
1446 CHCl2I dichloroiodomethane chcl2i  
1447 CHClBr2 Methane, dibromochloro- chclbr2  
1448 CHBr3 bromoform chbr3  
1449 CHI3 Iodoform chi3  
1450 NF3H+ protonated nitrogen trifluoride nf3h+  
1451 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1452 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1453 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1454 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1455 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1456 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1457 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1458 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1459 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1460 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1461 C2H2Br2 1,1-dibromoethene c2h2br2  
1462 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1463 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1464 CH2FCHO Fluoroacetaldehyde ch2fcho  
1465 CH3COF Acetyl fluoride ch3cof  
1466 CH2ClCHO chloroacetaldehyde ch2clcho  
1467 CH3COCl Acetyl Chloride ch3cocl  
1468 C2H4F2 1,2-difluoroethane c2h4f2  
1469 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1470 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1471 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1472 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1473 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1474 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1475 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1476 CH2CFCH3 2-fluoropropene 2fpro  
1477 CH2CHCH2F Allyl Fluoride allylf  
1478 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1479 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1480 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1481 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1482 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1483 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1484 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1485 CH2FCH2CH3 1-Fluoropropane prf1  
1486 CH3CHFCH3 2-Fluoropropane prf2  
1487 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1488 CH3CHClCH3 Propane, 2-chloro- prcl2  
1489 CH3CH2CH2Br n-propyl bromide prbr  
1490 CH3CHBrCH3 i-propyl bromide iprbr  
1491 C3H9O+ trimethyl oxonium cation c3h9o+  
1492 B5H9 pentaborane9 b5h9  
1493 C5H4 pentatetraene ptrene  
1494 C5H5 cyclopentadienyl radical c5h5  
1495 C5H5- cylopentadienyl anion c5h5-  
1496 C5H6 1,3-Cyclopentadiene c542927  
1497 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1498 C5H6 3-Penten-1-yne, (E)- c2004695  
1499 C5H6 3-Penten-1-yne, (Z)- c1574409  
1500 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1501 C5H6 Cyclopropylacetylene c6746947  
1502 C5H6 Propellane propellane  
1503 C5H7 1,3-pentadienyl radical pdyl  
1504 C5H7 cyclopentenyl radical cpyl  
1505 C5H8 1,2-Butadiene, 3-methyl- c598254  
1506 C5H8 1,2-Pentadiene c591957  
1507 C5H8 1,3-Butadiene, 2-methyl- c78795  
1508 C5H8 1,3-Pentadiene, (E)- c2004708  
1509 C5H8 1,3-Pentadiene, (Z)- c1574410  
1510 C5H8 1,4-Pentadiene c591935  
1511 C5H8 1-pentyne a1pentyne  
1512 C5H8 2,3-Pentadiene c591968  
1513 C5H8 Bicyclo[1.1.1]pentane bcp  
1514 C5H8 Cyclobutane, methylene- c1120565  
1515 C5H8 Cyclopentene c142290  
1516 C5H8 Ethenylcyclopropane c693867  
1517 CH3CCCH2CH3 2-Pentyne 2pentyne  
1518 C5H10 1-Butene, 2-methyl- c563462  
1519 C5H10 2-Butene, 2-methyl- c513359  
1520 C5H10 2-Pentene, (E)- c646048  
1521 C5H10 2-Pentene, (Z)- c627203  
1522 C5H10 Cyclopentane c287923  
1523 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1524 CH2CHCH2CH2CH3 1-pentene pentene  
1525 C5H11 2-Methylbut-2-yl radical c4348350  
1526 C5H12 Butane, 2-methyl- buta2  
1527 C5H12 Pentane pentane  
1528 C5H12 Propane, 2,2-dimethyl- neopentane  
1529 Si(CH3)4 tetramethylsilane tms  
1530 N2O3 Dinitrogen trioxide n2o3  
1531 C3H2N2 Malononitrile c3h2n2  
1532 CH2N4 1H-Tetrazole 1htz  
1533 C3H3N2 imidazolyl radical im  
1534 C3H3N2- imidizolyl anion im-  
1535 C2H3N3 1H-1,2,4-Triazole c288880  
1536 C4H4N pyrrolide radical c4h4n  
1537 C4H4N- pyrrolide anion c4h4n-  
1538 C3H4N2 1H-Imidazole 1himidaz  
1539 C3H4N2 1H-Pyrazole 1hpyraz  
1540 C3H4N2 2H-Imidazole imid2h  
1541 C3H4N2 4H-Imidazole imid4h  
1542 C4H5N (E)-2-Butenenitrile c627269  
1543 C4H5N (Z)-2-Butenenitrile c1190767  
1544 C4H5N 2H-pyrrole pyrrole2  
1545 C4H5N 3H-pyrrole pyrrole3  
1546 C4H5N Cyclopropanecarbonitrile c5500210  
1547 C4H5N Pyrrole pyrrole  
1548 CH2CHCH2CN Allylcyanide ch2chch2cn  
1549 C4H6N+ pyrrole, alpha-protonated appyr  
1550 C4H6N+ pyrrole, beta-protonated bppyr  
1551 C4H6N+ pyrrole, protonated ppyr  
1552 C3H6N2 3-Aminopropionitrile c151188  
1553 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1554 CH3CH2CH2CN Butanenitrile c109740  
1555 C5H8 Bicyclo[2.1.0]pentane c185944  
1556 C5H8 Spiropentane c157404  
1557 C4H9N Cyclobutylamine cbam  
1558 C4H9N Pyrrolidine pyrrolidine  
1559 C3H10N2 1,2-Diaminopropane diampr12  
1560 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1561 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1562 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1563 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1564 NH(C2H5)2 diethylamine dea  
1565 NC4H12+ tetramethyl ammonium cation nc4h12+  
1566 C3O2 Carbon suboxide c3o2  
1567 C3O2+ Carbon suboxide cation c3o2+  
1568 B2O3 diboron trioxide b2o3  
1569 MgCO3 Magnesium Carbonate mgco3  
1570 BeCO3 Beryllium Carbonate beco3  
1571 CaCO3 Calcium Carbonate caco3  
1572 ONONO Nitrosyl nitrite onono  
1573 PO4--- phosphate po4---  
1574 SO4-- sulfate so4--  
1575 HOONO2 peroxy nitric acid hoono2  
1576 HSO4- bisulfate anion hso4-  
1577 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1578 C3H2O2 Propiolic acid c3h2o2  
1579 CHOCOOH oxo acetic acid oaa  
1580 CHOOCHO diformyl ether choocho  
1581 H2SO4 Sulfuric acid h2so4  
1582 H2SeO4 Selenic acid h2seo4  
1583 C3H3NO Isoxazole isox  
1584 C3H3NO Oxazole oxazole  
1585 C3H3NS Thiazole thiazole  
1586 CH3C(O)OO acetyl peroxy radical ch3coo2  
1587 CH3NO3 Methyl nitrate ch3no3  
1588 H3PO4 Phosphoric Acid h3po4  
1589 C4H4O Furan furan  
1590 C4H4O+ Furan cation furan+  
1591 CH3COCCH 3-butyn-2-one c1423605  
1592 C4H4S Thiophene furans  
1593 C4H4Se selenophene c4h4se  
1594 C3H4O2 β–Propiolactone beta  
1595 C3H4O2 2-Propenoic acid propenoic2  
1596 C3H4O2 Methyl glyoxal megly  
1597 C3H4O2 propanedial propanedial  
1598 C3H4O2 propenalol propenalol  
1599 HOCHCCHOH allenediol aldiol  
1600 C2H4O3 1,2,3-trioxolane c2h4o3  
1601 C2H4O3 trioxolane124 triox  
1602 HOCH2COOH Hydroxyacetic acid hac  
1603 CH2CHCONH2 Acrylamide c79061  
1604 CH3OCH2CN Methoxyacetonitrile c1738369  
1605 CH5N3S Hydrazinecarbothioamide c79196  
1606 H2NCH2COOH Glycine glycine  
1607 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1608 C4H6O cis-2-butenal butenal2c  
1609 C4H6O Cyclobutanone cbutone  
1610 C4H6O Furan, 2,3-dihydro- furan23h  
1611 C4H6O Furan, 2,5-dihydro- furan25h  
1612 CH2CHOCHCH2 Vinyl ether vinylether  
1613 CHOCHCHCH3 2-Butenal butenal2  
1614 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1615 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1616 CH2CHSCHCH2 Divinyl sulfide divis  
1617 C2H6N2O Urea, methyl- c598505  
1618 C3H6O2 1,3-Dioxolane dioxolane  
1619 CH3CH2COOH Propanoic Acid propanoic  
1620 CH3COOCH3 methyl acetate aame  
1621 HCOOC2H5 Ethyl formate faee  
1622 C2H6O2S Dimethyl sulfone c67710  
1623 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1624 C3H7NO dimethylformamide dmf  
1625 C3H7NO Propanamide propanam  
1626 C2H3OC2H5 Ethene, ethoxy- c109922  
1627 C4H8O Cyclobutanol c2919235  
1628 C4H8O Furan, tetrahydro- thf  
1629 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1630 CH3COCH2CH3 2-Butanone buta2one  
1631 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1632 CHOCH2CH2CH3 Butanal butanal  
1633 C4H8S Thiophene, tetrahydro- tht  
1634 C3H8O2 1,3-Propanediol c504632  
1635 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1636 C3H8O2 Methane, dimethoxy- c109875  
1637 C3H8O2 Propylene glycol c57556  
1638 C3H8S2 1,3-Propanedithiol c109808  
1639 C4H10O 1-Butanol butanol1  
1640 C4H10O 1-Propanol, 2-methyl- c78831  
1641 C4H10O 2-Butanol, (.+/-.)- butanol2  
1642 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1643 C4H10O Ethoxy ethane etoet  
1644 C4H10O Methyl propyl ether meopr  
1645 C4H10O Propane, 2-methoxy- c598538  
1646 C4H10O+ 1-Butanol cation butanol1+  
1647 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1648 C2H5SC2H5 Diethyl sulfide etset  
1649 C4H9SH 1-Butanethiol bush  
1650 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1651 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1652 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1653 FNO3 Fluorine nitrate fno3  
1654 ClONO2 Chlorine nitrate clono2  
1655 BrONO2 Bromine nitrate brono2  
1656 TiCl4 Titanium tetrachloride ticl4  
1657 ClO4- perchlorate anion clo4-  
1658 BF4- tetrafluoroboron anion bf4-  
1659 ClFO3 Perchloryl fluoride clfo3  
1660 SO2F2 Sulfuryl fluoride so2f2  
1661 SO2Cl2 Sulfuryl chloride so2cl2  
1662 F3NO Nitrogen trifluoride oxide f3no  
1663 F3PO Phosphoryl fluoride pf3o  
1664 Cl3PO Phosphoryl chloride pcl3o  
1665 CF4 Carbon tetrafluoride cf4  
1666 CF3Cl Methane, chlorotrifluoro- cf3cl  
1667 SiF4 Silicon tetrafluoride sif4  
1668 CF2Cl2 difluorodichloromethane cf2cl2  
1669 TiF4 Titanium tetrafluoride tif4  
1670 CFCl3 Trichloromonofluoromethane cfcl3  
1671 CF3Br Bromotrifluoromethane cf3br  
1672 GeF4 Germanium tetrafluoride gef4  
1673 CCl4 Carbon tetrachloride ccl4  
1674 CCl4+ Carbon tetrachloride cation ccl4+  
1675 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1676 SiCl4 Silane, tetrachloro- sicl4  
1677 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1678 CF3I trifluoroiodomethane cf3i  
1679 CBrCl3 Methane, bromotrichloro- cbrcl3  
1680 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1681 GeCl4 Germanium Tetrachloride gecl4  
1682 CBr2ClF dibromochlorofluoromethane cbr2clf  
1683 CBr2Cl2 dibromodichloromethane cbr2cl2  
1684 CCl3I trichloroiodomethane ccl3i  
1685 CFBr3 fluorotribromomethane cfbr3  
1686 CFClBrI fluorochlorobromoiodomethane cfclbri  
1687 CBr3Cl tribromochloromethane cbr3cl  
1688 CF2I2 difluorodiiodomethane cf2i2  
1689 CBr4 Carbon tetrabromide cbr4  
1690 CCl2I2 dichlorodiiodomethane ccl2i2  
1691 SiBr4 Silicon tetrabromide sibr4  
1692 CBr3I tribromoiododmethane cbr3i  
1693 GeBr4 Germanium tetrabromide gebr4  
1694 CI4 tetraiodomethane ci4  
1695 SiI4 silicon tetraiodide sii4  
1696 ClOF3 Chlorine trifluoride oxide clof3  
1697 SF4 Sulfur tetrafluoride sf4  
1698 SeF4 Selenium tetrafluoride sef4  
1699 SCl4 Sulfur tetrachloride scl4  
1700 C2HF3 Trifluoroethylene c2hf3  
1701 C2HF3+ Trifluoroethylene cation c2hf3+  
1702 CHClCCl2 Trichloroethylene chclccl2  
1703 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1704 HClO4 perchloric acid hclo4  
1705 HSO3F Fluorosulfonic acid hso3f  
1706 CF3OH trifluoromethanol cf3oh  
1707 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1708 CHClCCHCl 1,3-dichloroallene chclcchcl  
1709 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1710 CHCl2CHO dichloroacetaldehyde chcl2cho  
1711 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1712 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1713 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1714 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1715 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1716 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1717 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1718 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1719 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1720 NH3BCl3 Amminetrichloroboron nh3bcl3  
1721 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1722 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1723 C3H5ClO Oxirane, (chloromethyl)- c106898  
1724 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1725 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1726 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1727 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1728 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1729 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1730 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1731 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1732 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1733 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1734 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1735 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1736 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1737 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1738 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1739 C4H9F 1-fluorobutane butaf1  
1740 CH3CHFCH2CH3 2-fluorobutane butaf2  
1741 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1742 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1743 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1744 XeF4 Xenon tetrafluoride xef4  
1745 C2H2N2O Furazan furazan  
1746 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1747 NH3BF3 Amminetrifluoroboron nh3bf3  
1748 C6H2 hexatriyne c6h2  
1749 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1750 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1751 C6H4 Benzyne benzyne  
1752 C6H5 phenyl phenyl  
1753 C6H5- phenyl anion phenyl-  
1754 C6H6 Prismane prismane  
1755 C6H6 1,2,4,5-Hexatetraene ht1245  
1756 C6H6 2,4-Hexadiyne hexadiyne  
1757 C6H6 3,4-Dimethylenecyclobutene cb34m  
1758 C6H6 Benzene benzene  
1759 C6H6 Benzvalene bv  
1760 C6H6 Dewar Benzene dewar  
1761 C6H6 Hexa-1,5-diene-3-yne hdy153  
1762 C6H6 Trimethylenecycopropane tmcp  
1763 C6H6+ Benzene cation c6h6+  
1764 C6H7+ benzene, protonated c6h7+  
1765 C6H8 (E)-hexa-1,3,5-triene c821078  
1766 C6H8 (E)-hexa-2,3,4-triene c59660650  
1767 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1768 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1769 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1770 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1771 C6H8 3-Methylenecyclopentene c930267  
1772 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1773 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1774 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1775 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1776 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1777 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1778 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1779 C6H10 1,5-Hexadiene c592427  
1780 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1781 C6H10 1-Hexyne hexyne1  
1782 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1783 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1784 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1785 C6H10 2-Hexyne c764352  
1786 C6H10 3-Hexyne hexyne3  
1787 C6H10 cyclohexene cyclohexene  
1788 C6H10 Cyclopentene, 1-methyl- c693890  
1789 C6H10 Cyclopentene, 3-methyl- c1120623  
1790 C6H10 Cyclopentene, 4-methyl- c1759815  
1791 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1792 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1793 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1794 C6H12 (E)-2-Hexene e2hexene  
1795 C6H12 (E)-3-methylpent-2-ene c616126  
1796 C6H12 (E)-hex-3-ene e3hexene  
1797 C6H12 (Z)-3-methylpent-2-ene c922623  
1798 C6H12 (Z)-hex-2-ene z2hexene  
1799 C6H12 (Z)-hex-3-ene z3hexene  
1800 C6H12 2,3-dimethylbut-1-ene c563780  
1801 C6H12 2,3-dimethyl-but-2-ene tmeet  
1802 C6H12 3-methylenepentane c760214  
1803 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1804 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1805 C6H12 Cyclohexane cyclohexane  
1806 C6H12 Cyclopentane, methyl- c96377  
1807 C6H12 Ethylcyclobutane c4806615  
1808 C6H12 hex-1-ene hexene1  
1809 C6H14 Butane, 2,2-dimethyl- buta22  
1810 C6H14 Butane, 2,3-dimethyl- buta23  
1811 C6H14 Hexane hexane  
1812 C6H14 Pentane, 2-methyl- penta2  
1813 C6H14 Pentane, 3-methyl- penta3  
1814 C4N2 2-Butynedinitrile c4n2  
1815 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1816 C4H2N2 Fumaronitrile c4h2n2  
1817 C2H2N4 sym-tetrazine ttz  
1818 C3H3N3 1,3,5-Triazine triazine135  
1819 CH3N5 5-Aminotetrazole c4418615  
1820 C4H4N2 1,3-Diazine diazine13  
1821 C4H4N2 Pyrazine pyrazine  
1822 C4H4N2 Pyridazine pyridazine  
1823 C4H4N2 Succinonitrile c110612  
1824 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1825 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1826 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1827 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1828 C5H5N E-2,4-pentadienenitrile bdcn  
1829 C5H5N Pyridine pyridine  
1830 B3N3H6 borazine borazine  
1831 C6H6 Fulvene fulvene  
1832 C5H6N+ Pyridinium c5h6n  
1833 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1834 C5H7N (E)-2-Pentenenitrile c26294984  
1835 C5H7N (E)-3-Pentenenitrile c16529661  
1836 C5H7N (Z)-2-Pentenenitrile c25899507  
1837 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1838 C5H7N Cyclobutanecarbonitrile c4426113  
1839 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1840 C5H9N Butanenitrile, 2-methyl- c18936179  
1841 C5H9N Pentanenitrile c110598  
1842 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1843 C6H10 Bicyclo[3.1.0]hexane c285585  
1844 C5H11N Cyclopentanamine cypentam  
1845 C5H11N Piperidine piper  
1846 C4H12N2 1,2-Butanediamine c4426486  
1847 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1848 Li2CO3 Lithium Carbonate li2co3  
1849 Na2CO3 Sodium Carbonate na2co3  
1850 C2O4-- oxalate anion c2o4  
1851 MgSO4 Magnesium Sulfate mgso4  
1852 N2O4 Dinitrogen tetroxide n2o4  
1853 C3H2O3 vinylene carbonate vica  
1854 C2H2O4 Oxalic Acid oxalic  
1855 C2H3NO3 Oxamic acid oxamic  
1856 C4H4O2 2(5H)-Furanone furanone  
1857 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1858 C2H4N2O2 Oxalamide oxalamide  
1859 C2H4N2S2 Ethanedithioamide c79403  
1860 C2H4CO3 Ethylene carbonate etco3  
1861 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1862 C3H4S3 1,3-Dithiolane-2-thione c822388  
1863 C2H4O4 Formic acid dimer fadimer  
1864 C4H5NO 3-Methylisoxazole isox3m  
1865 C4H5NO Isoxazole, 5-methyl- c5765446  
1866 C4H5NS 4-Methylthiazole c693958  
1867 C2H5NO3 Nitric acid, ethyl ester c625581  
1868 C5H6O 2H-Pyran pyran2  
1869 C5H6O 2-methylfuran furan2m  
1870 C5H6O 3-Methylfuran furan3m  
1871 C5H6O Pentadienal pdal  
1872 C5H6S Thiophene, 2-methyl- c554143  
1873 C5H6S Thiophene, 3-methyl- c616444  
1874 C4H6O2 γ–Butyrolactone c96480  
1875 C4H6O2 2,3-Butanedione c431038  
1876 C4H6O2 2-Propenoic acid, methyl ester c96333  
1877 C4H6O2 Crotonic Acid crot  
1878 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1879 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1880 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1881 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1882 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1883 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1884 C4H6OS Vinyl sulfoxide c1115157  
1885 CH6N4S Carbonothioic dihydrazide thiacarb  
1886 C2H6N2O2 (E)-Azodioxymethane c37765154  
1887 C2H6N2O2 Dimethylnitroamine c4164287  
1888 C3H6O3 1,3,5-Trioxane trioxane  
1889 C3H6S3 1,3,5-Trithiane c3h6s3  
1890 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1891 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1892 C4H7NO 2-Pyrrolidinone c616455  
1893 C4H7NO Ethoxyacetonitrile etoaccn  
1894 C4H7NO Methacrylamide c79390  
1895 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1896 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1897 C3H7ONO Propyl nitrite prono  
1898 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1899 CH3CH(NH2)COOH Alanine alanine  
1900 CH3NHCH2COOH Sarcosine sarcosine  
1901 NH2CH2CH2COOH β–alanine betaalanine  
1902 NH2COOC2H5 Urethane urethane  
1903 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1904 C5H8O Cyclopentanone c120923  
1905 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1906 C5H8O Methyl cyclopropyl ketone c765435  
1907 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1908 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1909 NH2CONHC2H5 Urea, ethyl- c625525  
1910 C4H8O2 1,3-Dioxane dioxan13  
1911 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1912 C4H8O2 1,4-Dioxane dioxan14  
1913 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1914 C4H8O2 Ethyl acetate c141786  
1915 C4H8OS s-Ethyl thioacetate c625605  
1916 C3H8O3 1,2,3-Propanetriol glycerin  
1917 C3H8O2S (Methylsulfonyl)ethane c594434  
1918 C4H9NO Butanamide c541355  
1919 C4H9NO Propanamide, 2-methyl- c563837  
1920 C5H10O 2-Butanone, 3-methyl- c563804  
1921 C5H10O 2H-Pyran, tetrahydro- c142687  
1922 C5H10O 2-methylbutyraldehyde 2meba  
1923 C5H10O 2-Pentanone mpk  
1924 C5H10O 3-Pentanone dek  
1925 C5H10O Cyclopentanol c96413  
1926 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1927 C5H10O Pentanal pal  
1928 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1929 C5H10S 3-Ethylthio-1-propene c5296628  
1930 C5H10S Cyclopentanethiol c1679078  
1931 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1932 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1933 C4H10O2 1,1-Dimethoxyethane c534156  
1934 C4H10O2 1,3-Butanediol budiol13  
1935 C4H10O2 1,4-Butanediol budiol14  
1936 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1937 C4H10OS Diethyl sulfoxide c70291  
1938 C4H10S2 1,4-Butanedithiol budisl14  
1939 C4H11NO Diethylhydroxylamine c3710847  
1940 C5H12O 1-Butanol, 2-methyl- c137326  
1941 C5H12O 1-Butanol, 3-methyl- c123513  
1942 C5H12O 1-Pentanol pentanol1  
1943 C5H12O 2-Butanol, 3-methyl- c598754  
1944 C5H12O 2-Pentanol peol2  
1945 C5H12O 3-Pentanol pentan3ol  
1946 C5H12O Butane, 1-methoxy- meobu  
1947 C5H12O Propane, 1-ethoxy- proet  
1948 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1949 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1950 C5H12S 1-Butanethiol, 3-methyl- c541311  
1951 C5H12S 1-Pentanethiol c110667  
1952 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1953 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1954 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1955 C5H12S Butane, 1-(methylthio)- c628295  
1956 C5H12S Ethyl propyl sulfide c4110503  
1957 C5H12S Propane, 2-(ethylthio)- c5145993  
1958 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1959 C4F2 difluorobutadiyne c4f2  
1960 ClCOClCO Oxalyl chloride oxcl  
1961 CF3CN Acetonitrile, trifluoro- cf3cn  
1962 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1963 B2F4 Diboron tetrafluoride b2f4  
1964 B2Cl4 Diboron tetrachloride b2cl4  
1965 C2F4 Tetrafluoroethylene c2f4  
1966 C2F4+ Tetrafluoroethylene cation c2f4+  
1967 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1968 CF2CCl2 difluorodichloroethylene cf2ccl2  
1969 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1970 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1971 C2FCl3 fluorotrichloroethene c2fcl3  
1972 C2Cl4 Tetrachloroethylene c2cl4  
1973 C2Br4 tetrabromoethene c2br4  
1974 CF3OF Trifluoromethylhypofluorite cf3of  
1975 SiF5- silicon pentafluoride anion sif5-  
1976 SOF4 Sulfur tetrafluoride oxide sof4  
1977 PF5 Phosphorus pentafluoride pf5  
1978 AsF5 Arsenic pentafluoride asf5  
1979 PCl5 Phosphorus pentachloride pcl5  
1980 SF5 Sulfur pentafluoride sf5  
1981 SF5+ pentafluoro sulfur cation sf5+  
1982 SbCl5 Antimony pentachloride sbcl5  
1983 BrF5 bromine pentafluoride brf5  
1984 ClF5 chlorinepentafluoride clf5  
1985 IF5 pentafluoroiodine if5  
1986 CF3CHO trifluoroacetaldehyde cf3cho  
1987 CCl3CHO trichloroacetaldehyde ccl3cho  
1988 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1989 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1990 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1991 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1992 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1993 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1994 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1995 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1996 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1997 CF3COOH trifluoroacetic acid cf3cooh  
1998 C4H3ClO Furan, 2-chloro fur2cl  
1999 C4H3ClO Furan,3-chloro fur3cl  
2000 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2001 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2002 C4H8Cl2 1,4-Dichlorobutane c110565  
2003 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2004 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2005 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2006 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2007 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2008 C5H11Cl Pentane, 1-chloro- pencl1  
2009 C4H8O2 Butanoic acid bua  
2010 C6H5CH2 benzyl radical benzyl  
2011 C7H7 cycloheptatrienyl radical c7h7  
2012 C7H7+ cycloheptatrienyl cation c7h7+  
2013 C6H5CH3 toluene toluene  
2014 C7H8 cycloheptatriene cht  
2015 C7H8 Norbornadiene norbor  
2016 C7H8 Quadricyclane qucy  
2017 C7H12 Norbornane nor  
2018 C7H14 cycloheptane c7h14  
2019 C7H16 2-methylhexane 2mhex  
2020 C7H16 3-methylhexane hex3m  
2021 C7H16 heptane heptane  
2022 CH(CN)3 tricyanomethane mecn3  
2023 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2024 C6H7N 2-Methylpyridine mp  
2025 C6H5NH2 aniline aniline  
2026 C6H13N 2-Methylpiperidine pip2m  
2027 C6H13N cyclohexanamine cham  
2028 C6H15N triethylamine tea  
2029 N2O5 Dinitrogen pentoxide n2o5  
2030 C4H2O3 Maleic Anhydride malan  
2031 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2032 C5H4O2 furfural furfural  
2033 C6H5O phenoxy radical phenoxy  
2034 C5H5NO 2(1H)-Pyridinone c72762006  
2035 C5H5NO 2(3H)-Pyridinone c9000048  
2036 C5H5NO 2(5H)-Pyridinone c9000037  
2037 C5H5NO 2-Pyridinol c109104  
2038 C5H5NO 3(2H)-Pyridinone c9000004  
2039 C5H5NO 3(4H)-Pyridinone c9000026  
2040 C5H5NO 3(6H)-Pyridinone c9000015  
2041 C5H5NO 3-Pyridinol c109002  
2042 C5H5NO 4(1H)-Pryidinone c9000060  
2043 C5H5NO 4(3H)-Pryidinone c9000059  
2044 C5H5NO 4-Pyridinol c626642  
2045 C6H5OH phenol phenol  
2046 C6H6O 2,4-Cyclohexadienone c24599573  
2047 C6H6O 2,5-Cyclohexadienone c5664335  
2048 C6H5SH Benzenethiol phsh  
2049 HO2CCHNH2CH2OH Serine serine  
2050 C5H8O2 Acetylacetone acac  
2051 C4H8O2S Sulfolane sulfolane  
2052 C7H10 Norbornene norbornene  
2053 CH(C2H3)3 trivinyl methane tvm  
2054 C6H10O cyclohexanone chexo  
2055 C6H12O hexanal c6h12o  
2056 C6H12O Oxepane oxepane  
2057 C3H7OC3H7 di-n-propyl ether propr  
2058 F2CCCF2 tetrafluoroallene pfa  
2059 CF3COO- trifluoro acetate anion cf3coo-  
2060 CF3COF trifluoroacetyl fluoride cf3cof  
2061 CF3COCl trifluoroacetyl chloride cf3cocl  
2062 PF6 Hexafluorophosphate neutral pf6  
2063 PF6- Hexafluorophosphate ion pf6-  
2064 SF6 Sulfur Hexafluoride sf6  
2065 SeF6 Selenium hexafluoride sef6  
2066 SF5Cl sulfur chloropentafluoride sf5cl  
2067 CF3CHF2 pentafluoroethane cf3chf2  
2068 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2069 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2070 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2071 CCl3CHCl2 pentachloroethane ccl3chcl2  
2072 C6H5F Fluorobenzene bzf  
2073 C6H5Cl chlorobenzene bzcl  
2074 C6H5Br bromobenzene bzbr  
2075 C8H6 Calicene calicene  
2076 C6H5CCH phenylacetylene phac  
2077 C8H6 benzocyclobutadiene bcbd  
2078 C8H6 Pentalene pentalene  
2079 C6H5CHCH2 Styrene styrene  
2080 C8H8 cubane cubane  
2081 C8H8 cyclooctatetraene cot  
2082 C6H5CH2CH3 Ethylbenzene etbz  
2083 CH3C6H4CH3 meta-xylene mxylene  
2084 CH3C6H4CH3 paraxylene pxylene  
2085 C8H14 Bicyclo[2.2.2]octane bico222  
2086 C8H16 cyclooctane cyclooct  
2087 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2088 C8H18 Octane c8h18  
2089 C6H5CN phenyl cyanide phcn  
2090 C6H12N2 Triethylenediamine ted  
2091 C4O4-- squarate dianion c4o4--  
2092 S4N4 Tetrasulfur tetranitride s4n4  
2093 S8 Octasulfur s8  
2094 C6H4O2 parabenzoquinone pbq  
2095 C4H4N2O2 Uracil uracil  
2096 C6H5CHO benzaldehyde benzal  
2097 C6H5OCH3 Anisole anisole  
2098 C5H9NO2 Proline proline  
2099 C6H12O2 Methyl pivalate c598981  
2100 C6H12O2 Hexanoic acid hexa  
2101 C4F4 tetrafluorcyclobutadiene c4f4  
2102 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2103 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2104 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2105 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2106 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2107 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2108 C2F6 hexafluoroethane c2f6  
2109 C2Cl6 hexachloroethane c2cl6  
2110 IF7 Iodine heptafluoride if7  
2111 C6H4F2 metadifluorobenzene mdfb  
2112 C6H4F2 orthodifluorobenzene odfb  
2113 C6H4F2 1,4-difluorobenzene pdfb  
2114 C6H4Cl2 1,2-dichlorobenzene dcb12  
2115 C6H4Cl2 1,3-dichlorobenzene dcb13  
2116 C6H4Cl2 1,4-dichlorobenzene dcb14  
2117 C6H5NO nitrosobenzene bzno  
2118 C9H8 Indene indene  
2119 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2120 C9H12 n-propyl benzene prbz  
2121 C9H20 Nonane nonane  
2122 C(CN)4 tetracyanomethane c5n4  
2123 C5H4N4 purine purine  
2124 C8H7N Indole indole  
2125 C3H3N3O3 cyanuric acid cyanuric  
2126 C6H5NO2 Nitrobenzene c6h5no2  
2127 C6H5COOH benzoic acid benzo  
2128 CH3COC6H5 acetophenone acph  
2129 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2130 C3F6 hexafluoropropene c3f6  
2131 C6H3F3 Benzene trifluoride 123 bzf3a  
2132 C8H18O 1-Octanol octanol  
2133 C10H8 Azulene azu  
2134 C10H8 naphthalene naph  
2135 C10H10 bullvalene bullv  
2136 C10H16 adamantane adamantane  
2137 C6N4 Tetracyanoethylene tcne  
2138 C6N4- tetracyanoethylene anion tcne-  
2139 C10H22 Decane decane  
2140 C4F6 perfluorobutadiene c4f6  
2141 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2142 C3F8 perfluoropropane c3f8  
2143 Fe(CO)5 Iron pentacarbonyl ipc  
2144 Fe(C5H5)2 ferrocene fecp2  
2145 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2146 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2147 C12H8 Acenaphthylene acenaph  
2148 C12H8 biphenylene biph  
2149 C12H10 biphenyl biphenyl  
2150 C12H10 Heptalene heptalene  
2151 C6H12O6 Inositol inositol  
2152 C6F6 hexafluorobenzene c6f6  
2153 S2F10 disulphur decafluoride s2f10  
2154 C13H10 Fluorene fluorene  
2155 C14H10 Anthracene anth  
2156 C14H10 Phenanthrene phenanthrene  
2157 C14H14 Bibenzyl bibenzyl  
2158 C12H10N2 azobenzene azobenzene  
2159 C6H5COC6H5 benzophenone benzophenone  
2160 C16H10 Pyrene pyrene  
2161 C18H12 Tetracene tetracene  
2162 C19H16 Triphenylmethane tpm  
2163 C24H12 Coronene coronene  
2164 C60 Buckminsterfullerene c60