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 CCSD// B3LYP/6-31G* /aug-cc-pVTZ

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 B Boron atom 2PKh
4 Al Aluminum atom 2PKh
5 C Carbon atom 3P0Kh
6 Si Silicon atom 3PKh
7 P Phosphorus atom 4SKh
8 O Oxygen atom 3SKh
9 S Sulfur atom 3PKh
10 F Fluorine atom 2PKh
11 Cl Chlorine atom 2PKh
12 Ne Neon atom 1SKh
13 Ar Argon atom 1SKh
14 BF Boron monofluoride 1ΣC∞v
15 PO2 Phosphorus dioxide 2A1C2v
16 CCl2 dichloromethylene 1A1C2v

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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2 Hydrogen diatomic h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
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 li  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na Sodium atom na  
21 Na- Sodium atom anion na-  
22 Na+ Sodium atom cation na+  
23 K Potassium atom k  
24 K- Potassium atom anion k-  
25 K+ Potassium atom cation k+  
26 Cu Copper atom cu  
27 Cu- Copper atom anion cu-  
28 Cu+ Copper atom cation cu+  
29 LiH Lithium Hydride lih  
30 LiH- lithium hydride anion lih-  
31 LiH+ lithium hydride cation lih+  
32 NaH sodium hydride nah  
33 NaH- sodium hydride anion nah-  
34 NaH+ sodium hydride cation nah+  
35 KH Potassium hydride kh  
36 KH+ Potassium hydrogen cation kh+  
37 CuH Copper monohydride cuh  
38 Be Beryllium atom be  
39 Be- Beryllium atom anion be-  
40 Be+ Beryllium atom cation be+  
41 Mg Magnesium atom mg  
42 Mg- Magnesium atom anion mg-  
43 Mg+ Magnesium atom cation mg+  
44 Ca Calcium atom ca  
45 Ca- Calcium atom anion ca-  
46 Ca+ Calcium atom cation ca+  
47 Zn Zinc atom zn  
48 Zn- Zinc atom anion zn-  
49 Zn+ Zinc atom cation zn+  
50 BeH beryllium monohydride beh  
51 BeH- berylium monohydride anion beh-  
52 BeH+ beryllium monohydride cation beh+  
53 MgH magnesium monohydride mgh  
54 MgH- magnesium monohydride anion mgh-  
55 MgH+ magnesium monohydride cation mgh+  
56 CaH Calcium monohydride cah  
57 CaH+ Calcium monohydride cation cah+  
58 TiH Titanium monohydride tih  
59 ZnH Zinc monohydride znh  
60 ZnH+ Zinc, protonated znh+  
61 BeH2 beryllium dihydride beh2  
62 BeH2+ Beryllium dihydride cation beh2+  
63 MgH2 magnesium dihydride mgh2  
64 CaH2 Calcium Hydride cah2  
65 ZnH2 Zinc hydride znh2  
66 B- Boron atom anion b-  
67 B+ Boron atom cation b+  
68 Al- Aluminum atom anion al-  
69 Al+ Aluminum atom cation al+  
70 Sc Scandium atom sc  
71 Sc+ Scandium cation sc+  
72 Ga Gallium atom ga  
73 Ga- Gallium atom anion ga-  
74 Ga+ Gallium atom cation ga+  
75 BH Boron monohydride bh  
76 BH- boron monohydride anion bh-  
77 BH+ boron monohydride cation bh+  
78 AlH aluminum monohydride alh  
79 AlH- aluminum monohydride anion alh-  
80 AlH+ aluminum monohydride cation alh+  
81 ScH Scandium monohydride sch  
82 ScH+ Scandium monohydride cation sch+  
83 GaH Gallium monohydride gah  
84 GaH+ Gallium monohydride cation gah+  
85 BH2 boron dihydride bh2  
86 BH2- boron dihydride anion bh2-  
87 BH2+ Boron dihydride cation bh2+  
88 AlH2 aluminum dihydride alh2  
89 AlH2- aluminum dihydride anion alh2-  
90 AlH2+ aluminum dihydride cation alh2+  
91 BH3 boron trihydride bh3  
92 BH3- boron trihydride anion bh3-  
93 BH3+ boron trihydride cation bh3+  
94 AlH3 aluminum trihydride alh3  
95 AlH3- aluminum trihydride anion alh3-  
96 AlH3+ aluminum trihydride cation alh3+  
97 ScH3 Scandium trihydride sch3  
98 GaH3 Gallium trihydride gah3  
99 BH4 borohydride bh4  
100 BH4- borohydride anion bh4-  
101 AlH4- Aluminum tetrahydride anion alh4-  
102 C- Carbon atom anion c-  
103 C+ Carbon atom cation c+  
104 Si- Silicon atom anion si-  
105 Si+ Silicon atom cation si+  
106 Ti Titanium atom ti  
107 Ti- Titanium atom anion ti-  
108 Ti+ Titanium atom cation ti+  
109 Ge Germanium atom ge  
110 Ge- Germanium anion ge-  
111 Ge+ Germanium cation ge+  
112 Sn Tin atom sn  
113 Sn+ Tin cation sn+  
114 CH Methylidyne ch  
115 CH- methylidyne anion ch-  
116 CH+ Methylidyne cation ch+  
117 SiH Silylidyne sih  
118 SiH- silicon monohydride anion sih-  
119 SiH+ silicon monohydride cation sih+  
120 GeH germylidene geh  
121 GeH+ Germaniun monohyrdide cation geh+  
122 CH2 Methylene ch2  
123 CH2- methylene anion ch2-  
124 CH2+ methylene cation ch2+  
125 SiH2 silicon dihydride sih2  
126 SiH2- silicon dihydride anion sih2-  
127 SiH2+ silicon dihydride cation sih2+  
128 GeH2 germylene geh2  
129 GeH2- germylene anion geh2-  
130 CH3 Methyl radical ch3  
131 CH3- methyl anion ch3-  
132 CH3+ methyl cation ch3+  
133 SiH3 Silyl radical sih3  
134 SiH3- Silyl anion sih3-  
135 SiH3+ Silyl cation sih3+  
136 GeH3 Germyl radical geh3  
137 GeH3+ germyl cation geh3+  
138 CD4 methane-d4 cd4  
139 CH2D2 methane-d2 ch2d2  
140 CH3D methane-d ch3d  
141 CH4 Methane ch4  
142 CH4- Methane anion ch4-  
143 CH4+ Methane cation ch4+  
144 CHD3 methane-d3 chd3  
145 SiH2D2 silane-d2 sih2d2  
146 SiH4 Silane sih4  
147 SiH4+ Silane cation sih4+  
148 GeH4 Germane geh4  
149 SnH4 Stannane snh4  
150 SiH5+ Silane, protonated sih5+  
151 N Nitrogen atom n  
152 N- Nitrogen atom anion n-  
153 N+ Nitrogen atom cation n+  
154 P- Phosphorus atom anion p-  
155 P+ Phosphorus atom cation p+  
156 V Vanadium atom v  
157 V+ Vanadium atom cation v+  
158 As Arsenic atomic as  
159 As- Arsenic anion as-  
160 As+ Arsenic cation as+  
161 Sb Antimony atom sb  
162 NH Imidogen nh  
163 NH- Imidogen anion nh-  
164 NH+ imidogen cation nh+  
165 PH phosphorus monohydride ph  
166 PH- phosphorus monohydride anion ph-  
167 PH+ phosphorus monohydride cation ph+  
168 AsH Arsenic monohydride ash  
169 AsH+ Arsenic monohydride cation ash+  
170 SbH Antimony monohydride sbh  
171 ND2 Amidogen-d2 nd2  
172 NH2 Amino radical nh2  
173 NH2- amino anion nh2-  
174 NH2+ Amino cation nh2+  
175 PH2 Phosphino radical ph2  
176 PH2- Phosphino anion ph2-  
177 PH2+ Phosphino cation ph2+  
178 AsH2 Arsenic dihydride ash2  
179 AsH2+ Arsenic dihydride cation ash2+  
180 ND3 Ammonia-d3 nd3  
181 NH3 Ammonia nh3  
182 NH3- Ammonia anion nh3-  
183 NH3+ ammonia cation nh3+  
184 PH3 Phosphine ph3  
185 PH3+ Phosphine cation ph3+  
186 AsH3 Arsine ash3  
187 AsH3+ Arsine cation ash3+  
188 SbH3 Stibine sbh3  
189 AsH4+ Arsonium ash4+  
190 NH4 Ammonium radical nh4  
191 NH4+ ammonium cation nh4+  
192 PH4 Phosphoranyl radical ph4  
193 PH4+ phosphonium cation ph4+  
194 O- Oxygen atom anion o-  
195 O+ Oxygen atom cation o+  
196 S- Sulfur atom anion s-  
197 S+ Sulfur atom cation s+  
198 Cr Chromium atom cr  
199 Se Selenium atom se  
200 Se- Selenium atom anion se-  
201 Se+ Selenium atom cation se+  
202 Te Tellurium atom te  
203 Te+ Tellurium atom cation te+  
204 DO Hydroxyl-d od  
205 OH Hydroxyl radical oh  
206 OH- hydroxide anion oh-  
207 OH+ hydoxyl cation oh+  
208 DS Mercapto-d ds  
209 HS Mercapto radical hs  
210 HS- mercapto anion sh-  
211 HS+ sulfur monohydride cation sh+  
212 CrH Chromium hydride crh  
213 CrH+ Chromium hydride cation crh+  
214 HSe Selenium monohydride hse  
215 HSe- selenium monohydride anion hse-  
216 HSe+ selenium monohydride cation hse+  
217 TeH Telluryl radical teh  
218 D2O Deuterium oxide d2o  
219 H2O Water h2o  
220 H2O- water anion h2o-  
221 H2O+ water cation h2o+  
222 HDO Water-d1 hdo  
223 D2S Hydrogen sulfide-d2 d2s  
224 H2S Hydrogen sulfide h2s  
225 H2S- Hydrogen sulfide anion h2s-  
226 H2S+ Hydrogen sulfide cation h2s+  
227 H2Se Hydrogen selenide h2se  
228 H2Se+ Hydrogen selenide cation h2se+  
229 H2Te Hydrogen Telluride h2te  
230 H3O+ hydronium cation h3o+  
231 H3S+ Sulfonium cation h3s+  
232 H3Se+ Hydrogen Selenide, protonated h3se+  
233 F- Fluorine atom anion f-  
234 F+ Fluorine atom cation f+  
235 Cl- Chlorine atom anion cl-  
236 Cl+ Chlorine atom cation cl+  
237 Mn Manganese atom mn  
238 Br Bromine atom br  
239 Br- Bromine atom anion br-  
240 Br+ Bromine atom cation br+  
241 I Iodine atom iodine  
242 I- Iodine atom anion iodine-  
243 I+ Iodine atom cation iodine+  
244 DF Hydrofluoric acid-d df  
245 HF Hydrogen fluoride hf  
246 HF- hydrogen fluoride anion hf-  
247 HF+ hydrogen fluoride cation hf+  
248 DCl Hydrochloric acid-d dcl  
249 HCl Hydrogen chloride hcl  
250 HCl- hydrogen chloride anion hcl-  
251 HCl+ hydrogen chloride cation hcl+  
252 HBr hydrogen bromide hbr  
253 HBr- hydrogen bromide anion hbr-  
254 HBr+ hydrogen bromide cation hbr+  
255 HI Hydrogen iodide hi  
256 HI+ Hydrogen iodide cation hi+  
257 H2F+ dihydrogen fluoride cation h2f+  
258 H2Cl+ dihydrogen monochloride cation h2cl+  
259 H2Br+ protonated hydrogen bromide h2br+  
260 H2I+ Iodonium h2i+  
261 Ne- Neon atom anion ne-  
262 Ne+ Neon atom cation ne+  
263 Ar- Argon atom anion ar-  
264 Ar+ Argon atom cation ar+  
265 Fe Iron atom fe  
266 Kr Krypton atom kr  
267 Kr+ Krypton cation kr+  
268 Xe Xenon atom xe  
269 HeLi+ Helium Lithium cation heli+  
270 NeH neon hydrogen neh  
271 NeH+ neon hydrogen cation neh+  
272 ArH+ Argon hydride cation arh+  
273 KrH+ Protonated Krypton krh+  
274 XeH+ Xenon, protonated xeh+  
275 H2Ar H2 Ar dimer h2ar  
276 Co Cobalt atom cobalt  
277 Ni Nickel atom ni  
278 Li2 Lithium diatomic li2  
279 Li2- lithium diatomic anion li2-  
280 Li2+ lithium diatomic cation li2+  
281 NaLi lithium sodium lina  
282 NaLi- lithium sodium anion lina-  
283 NaLi+ lithium sodium cation lina+  
284 LiK Lithium Potassium lik  
285 Na2 Sodium diatomic na2  
286 Na2- sodium diatomic anion na2-  
287 Na2+ sodium diatomic cation na2+  
288 NaK Sodium Potassium nak  
289 NaK+ Sodium Potassium diatomic cation nak+  
290 K2 Potassium diatomic k2  
291 Cu2 Copper diatomic cu2  
292 LiBe Lithium Beryllium libe  
293 LiMg Lithium magnesium limg  
294 NaBe Sodium Beryllium nabe  
295 NaMg Sodium Magnesium namg  
296 Be2 Beryllium diatomic be2  
297 Be2- Beryllium diatomic anion be2-  
298 Be2+ Beryllium diatomic cation be2+  
299 BeMg Beryllium Magnesium bemg  
300 Mg2 Magnesium diatomic mg2  
301 Mg2- magnesium diatomic anion mg2-  
302 Mg2+ magnesium diatomic cation mg2+  
303 Ca2 Calcium diatomic ca2  
304 LiB Lithium boride lib  
305 LiAl Lithium Aluminum lial  
306 NaAl Sodium aluminum naal  
307 BeB Beryllium monoboride beb  
308 B2 Boron diatomic b2  
309 B2- Boron diatomic anion b2-  
310 B2+ Boron diatomic cation b2+  
311 BAl Boron Aluminum bal  
312 Al2 Aluminum diatomic al2  
313 Al2- aluminum diatomic anion al2-  
314 Al2+ aluminum diatomic cation al2+  
315 BGa Boron Gallium bga  
316 AlGa Aluminum Gallium alga  
317 Ga2 Gallium diatomic ga2  
318 HBBH Diborane(2) hbbh  
319 LiBH4 Lithium borohydride libh4  
320 B2H4 Diborane(4) D2d b2h4  
321 HBHHBH Diborane(4) C2V hbhhbh  
322 B2H6 Diborane b2h6  
323 B2H6+ Diborane cation b2h6  
324 Al2H6 dialane al2h6  
325 Ga2H6 digallane ga2h6  
326 LiC Lithium Carbide lic  
327 BeC Beryllium Carbide bec  
328 CaC Calcium monocarbide cac  
329 BC boron monocarbide bc  
330 BC- boron monocarbide anion bc-  
331 BC+ boron monocarbide cation bc+  
332 AlC Aluminum carbide alc  
333 BSi Boron silicide bsi  
334 C2 Carbon diatomic c2  
335 C2- carbon diatomic anion c2-  
336 C2+ carbon diatomic cation c2+  
337 SiC silicon monocarbide sic  
338 SiC- silicon monocarbide anion sic-  
339 SiC+ silicon monocarbide cation sic+  
340 Si2 Silicon diatomic si2  
341 Si2- silcon diatomic anion si2-  
342 Si2+ silcon diatomic cation si2+  
343 GeC Germanium monocarbide gec  
344 SiGe Silicon Germanium sige  
345 Ge2 Germanium diatomic ge2  
346 C2H Ethynyl radical c2h  
347 C2H- Ethynyl anion c2h-  
348 C2H+ Ethynyl cation c2h+  
349 ZnCH2 Zinc methylene znch2  
350 C2H2 Acetylene c2h2  
351 C2H2+ acetylene cation c2h2+  
352 CCH2 vinylidene vinylidene  
353 H2CC- vinylidene anion h2cc-  
354 HCCH- acetylene anion c2h2-  
355 Si2H2 disilyne si2h2  
356 CH3Li methyl lithium ch3li  
357 CuCH3 monomethyl copper cuch3  
358 ZnCH3 Zinc monomethyl znch3  
359 CH2BH methyleneborane ch2bh  
360 C2H3 vinyl c2h3  
361 C2H3- vinyl anion c2h3-  
362 C2H3+ vinyl cation c2h3+  
363 C2H4 Ethylene c2h4  
364 C2H4- Ethylene anion c2h4-  
365 C2H4+ Ethylene cation c2h4+  
366 CH3CH methylmethylene ch3ch  
367 CH2SiH2 silaethylene ch2sih2  
368 Si2H4 Disilene si2h4  
369 CH3BH2 methylborane ch3bh2  
370 C2H5 Ethyl radical c2h5  
371 C2H5- Ethyl anion c2h5-  
372 C2H5+ Ethyl cation c2h5+  
373 C2H6 Ethane c2h6  
374 C2H6+ ethane cation c2h6+  
375 CH3SiH3 methyl silane ch3sih3  
376 Si2H6 disilane si2h6  
377 GeH3CH3 methyl germane geh3ch3  
378 C2H7+ Ethane, protonated c2h7+  
379 LiN Lithium Nitride lin  
380 LiN+ Lithium Nitride cation lin+  
381 LiP Lithium monophosphide lip  
382 BeN Beryllium mononitride ben  
383 BeN- Beryllium mononitride anion ben-  
384 BeN+ Beryllium mononitride cation ben+  
385 MgN Magnesium Nitride mgn  
386 BN- boron nitride anion bn-  
387 AlN- aluminum mononitride anion aln-  
388 AlN+ aluminum mononitride cation aln+  
389 BP Boron monophosphide bp  
390 AlP Aluminum monophosphide alp  
391 GaN Gallium mononitride gan  
392 GaP Gallium monophosphide gap  
393 GaAs Gallium arsenide gaas  
394 BN boron nitride bn  
395 BN+ boron nitride cation bn+  
396 AlN Aluminum nitride aln  
397 CN Cyano radical cn  
398 CN- cyanide anion cn-  
399 CN+ Cyano cation cn+  
400 CP Carbon monophosphide cp  
401 CP- carbon monophosphide anion cp-  
402 CP+ carbon monophosphide cation cp+  
403 SiN Silicon nitride sin  
404 SiN- silicon mononitride anion sin-  
405 SiN+ silicon mononitride cation sin+  
406 SiP Silicon monophosphide sip  
407 SiP- Silicon monophosphide anion sip-  
408 SiP+ Silicon monophosphide cation sip+  
409 TiN Titanium mononitride tin  
410 N2 Nitrogen diatomic n2  
411 N2- nitrogen diatomic anion n2-  
412 N2+ diatomic nitrogen cation n2+  
413 PN Phosphorus mononitride pn  
414 PN- phosphorus nitride anion pn-  
415 PN+ phosphorus nitride cation pn+  
416 P2 Phosphorus diatomic p2  
417 P2- phosphorus diatomic anion p2-  
418 P2+ phosphorus diatomic cation p2+  
419 AsN Arsenic mononitride asn  
420 AsP Arsenic monophosphide asp  
421 SbN Antimony nitride sbn  
422 As2 Arsenic diatomic as2  
423 HNB hydrogen nitrogen boron hnb  
424 HNC hydrogen isocyanide hnc  
425 HCN Hydrogen cyanide hcn  
426 HCN- Hydrogen cyanide anion hcn-  
427 HCN+ hydrogen cyanide cation hcn+  
428 HNC+ hydrogen isocyanide cation hnc+  
429 HCP Phosphaethyne hcp  
430 HCP+ Phosphaethyne cation hcp+  
431 NNH Dinitrogen monohydride nnh  
432 NNH+ Dinitrogen monohydride cation nnh+  
433 HPO Hydrogen phosphorus oxide hpo  
434 HPO+ Hydrogen phosphorus oxide cation hpo+  
435 LiNH2 lithium amide linh2  
436 HBNH Boranimine hbnh  
437 CNH2 Aminomethylidyne radical cnh2  
438 CNH2+ N-protonated hydrogen isocyanide cnh2+  
439 H2CN Dihydrogen cyanide radical h2cn  
440 H2CN+ hydrocyanonium cation h2cn+  
441 HCNH methyleneazane hcnh  
442 HCNH+ N-protonated HCN hcnh+  
443 H2NN Isodiazene h2nn  
444 N2H2 (E)-diazene n2h2  
445 N2H2 (Z)-Diazene n2h2z  
446 N2H2+ trans-diazene cation n2h2+  
447 CH2NH Methanimine ch3n  
448 CH2NH+ Methanimine cation ch2nh+  
449 CHNH2 aminomethylene chnh2  
450 CHNH2+ Aminocarbene cation chnh2+  
451 CH2PH Phosphaethene ch3p  
452 BH2NH2 Boranamine bh2nh2  
453 CH2NH2+ methyleneamine cation ch2nh2+  
454 N2H4 Hydrazine n2h4  
455 N2H4+ hydrazine cation n2h4+  
456 P2H4 Diphosphine p2h4  
457 CH3NH2 methyl amine ch3nh2  
458 CH3NH2+ methyl amine cation ch3nh2+  
459 CH3PH2 Methyl phosphine ch3ph2  
460 SiH3NH2 Silane, amino sih3nh2  
461 N2H5+ protonated hydrazine n2h5+  
462 BH3PH3 borane phosphine bh3ph3  
463 BH3NH3 borane ammonia bh3nh3  
464 CH3NH3 methyl ammonium radical ch3nh3  
465 CH3NH3+ protonated methylamine ch3nh3+  
466 CH3PH3+ methyl phosphine, protonated ch3ph3+  
467 NH3NH3 Ammonia Dimer nh3nh3  
468 N2H7+ ammonia ammonium dimer n2h7+  
469 LiO lithium oxide lio  
470 LiO- lithium oxide anion lio-  
471 LiO+ lithium oxide cation lio+  
472 LiS Lithium monosulfide lis  
473 LiS+ Lithium sulfide cation lis+  
474 NaO sodium monoxide nao  
475 NaO- sodium oxide anion nao-  
476 NaO+ sodium oxide cation nao+  
477 KO Potassium monoxide ko  
478 KO+ Potassium monoxide cation ko+  
479 NaS Sodium sulfide nas  
480 CuO Copper Monoxide cuo  
481 LiSe Lithium monoselenide lise  
482 BeO beryllium oxide beo  
483 BeO- Beryllium monoxide anion beo-  
484 BeO+ Beryllium monoxide cation beo+  
485 BeS beryllium sulfide bes  
486 MgO magnesium oxide mgo  
487 MgO- magnesium oxide anion mgo-  
488 MgO+ magnesium oxide cation mgo+  
489 CaO Calcium monoxide cao  
490 MgS magnesium sulfide mgs  
491 MgS- magnesium sulfide anion mgs-  
492 MgS+ magnesium sulfide cation mgs+  
493 CaS Calcium sulfide cas  
494 ZnO zinc monoxide zno  
495 ZnS Zinc sulfide zns  
496 BeS- Beryllium monosulfide anion bes-  
497 BeS+ Beryllium monosulfide cation bes+  
498 BO boron monoxide bo  
499 BO- boron monoxide anion bo-  
500 AlO Aluminum monoxide alo  
501 AlO- Aluminum monoxide anion alo-  
502 AlO+ aluminum monoxide cation alo+  
503 BS boron sulfide bs  
504 BS- boron monosulfide anion bs-  
505 BS+ boron monosulfide cation bs+  
506 AlS Aluminum sulfide als  
507 AlS- aluminum monosulfide anion als-  
508 AlS+ aluminum monosulfide cation als+  
509 ScO Scandium monoxide sco  
510 GaO Gallium monoxide gao  
511 GaS Gallium monosulfide gas  
512 BO+ boron monoxide cation bo+  
513 CO Carbon monoxide co  
514 CO- carbon monoxide anion co-  
515 CO+ carbon monoxide cation co+  
516 CS carbon monosulfide cs  
517 CS- carbon monosulfide anion cs-  
518 CS+ carbon monosulfide cation cs+  
519 SiO Silicon monoxide sio  
520 SiO- silicon monoxide anion sio-  
521 SiO+ silicon monoxide cation sio+  
522 SiS silicon monosulfide sis  
523 SiS- silicon monosulfide anion sis-  
524 SiS+ silicon monosulfide cation sis+  
525 TiO Titanium monoxide tio  
526 CSe Carbon monoselenide cse  
527 CSe- Carbon monoselenide anion cse-  
528 CSe+ Carbon monoselenide cation cse+  
529 GeO Germanium monoxide geo  
530 GeO+ Germanium monoxide cation geo+  
531 GeS Germanium monosulfide ges  
532 SiSe Silicon Monoselenide sise  
533 SiSe+ Silicon Monoselenide cation sise+  
534 GeSe Germanium monoselenide gese  
535 NO Nitric oxide no  
536 NO- nitric oxide anion no-  
537 NO+ nitric oxide cation no+  
538 NS Mononitrogen monosulfide ns  
539 NS- nitrogen sulfide anion ns-  
540 NS+ nitrogen sulfide cation ns+  
541 PO Phosphorus monoxide po  
542 PO- phosphorus monoxide anion po-  
543 PO+ phosphorus monoxide cation po+  
544 PS phosphorus sulfide ps  
545 PS- phosphorus monosulfide anion ps-  
546 PS+ phosphorus monosulfide cation ps+  
547 VO Vanadium monoxide vo  
548 AsO Arsenic monoxide aso  
549 NSe Nitrogen monoselenide nse  
550 AsS Arsenic monosulfide ass  
551 PSe Phosphorus monoselenide pse  
552 AsSe Arsenic monoselenide asse  
553 O2 Oxygen diatomic o2  
554 O2- oxygen diatomic anion o2-  
555 O2-- dioxygen dianion o2--  
556 O2+ diatomic oxygen cation o2+  
557 SO Sulfur monoxide so  
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 anion bf-  
696 BF+ Boron monofluoride cation bf+  
697 AlF Aluminum monofluoride alf  
698 AlF- Aluminum monofluoride anion alf-  
699 AlF+ Aluminum monofluoride cation alf+  
700 BCl boron monochloride bcl  
701 BCl- boron monochloride anion bcl-  
702 BCl+ boron monochloride cation bcl+  
703 AlCl Aluminum monochloride alcl  
704 AlCl- aluminum monochloride anion alcl-  
705 AlCl+ aluminum monochloride cation alcl+  
706 ScF Scandium monofluoride scf  
707 BBr Boron monobromide bbr  
708 GaF Gallium monofluoride gaf  
709 GaF+ Gallium monofluoride cation gaf+  
710 AlBr Aluminum monobromide albr  
711 GaCl Gallium monochloride gacl  
712 GaCl+ Gallium monochloride cation gacl+  
713 AlI Aluminum monoiodide ali  
714 GaBr Gallium monobromide gabr  
715 CF Fluoromethylidyne cf  
716 CF- carbon monofluoride anion cf-  
717 CF+ carbon monofluoride cation cf+  
718 CCl carbon monochloride ccl  
719 CCl- carbon monochloride anion ccl-  
720 CCl+ carbon monochloride cation ccl+  
721 SiF silicon monofluoride sif  
722 SiF- silicon monofluoride anion sif-  
723 SiF+ silicon monofluoride cation sif+  
724 SiCl Clorosilylidyne sicl  
725 SiCl- silicon monochloride anion sicl-  
726 SiCl+ silicon monochloride cation sicl+  
727 CBr Carbon monobromide cbr  
728 GeF Germanium monofluoride gef  
729 GeF+ Germanium monofluoride cation gef+  
730 GeCl Germanium monochloride gecl  
731 GeCl+ Germanium monochloride cation gecl+  
732 SiBr Silicon monobromide sibr  
733 SiBr+ Silicon monobromide cation sibr+  
734 NF nitrogen fluoride nf  
735 NF- nitrogen monofluorine anion nf-  
736 NF+ nitrogen monofluoirde cation nf+  
737 NCl nitrogen monochloride ncl  
738 NCl- nitrogen monochloride anion ncl-  
739 NCl+ nitrogen monochloride cation ncl+  
740 PF phosphorus monofluoride pf  
741 PF- phosphorus monofluoride anion pf-  
742 PF+ phosphorus monofluoride cation pf+  
743 PCl phosphorus chloride pcl  
744 PCl- phosphorus monochloride anion pcl-  
745 PCl+ phosphorus monochloride cation pcl+  
746 AsF Arsenic monofluoride asf  
747 NBr nitrogen monobromide nbr  
748 AsCl Arsenic monochloride ascl  
749 PBr Phosphorus monobromide pbr  
750 SbF Antimony monofluoride sbf  
751 SbCl Antimony monochloride sbcl  
752 FO Oxygen monofluoride fo  
753 FO- flourine oxide anion fo-  
754 FO+ fluorine monoxide cation fo+  
755 ClO Monochlorine monoxide clo  
756 ClO- chlorine monoxide anion clo-  
757 ClO+ chlorine monoxide cation clo+  
758 SF Monosulfur monofluoride sf  
759 SF- sulfur monofluoride anion sf-  
760 SF+ sulfur monofluoride cation sf+  
761 SCl sulfur monochloride scl  
762 SCl- sulfur monochloride anion scl-  
763 SCl+ sulfur monochloride cation scl+  
764 BrO Bromine monoxide bro  
765 BrO- Bromine monoxide anion bro-  
766 BrO+ Bromine monoxide cation bro+  
767 SeF Selenium monofluoride sef  
768 SBr Sulfur monobromide radical sbr  
769 SBr+ Sulfur monobromide cation sbr+  
770 SeCl Selenium monochloride secl  
771 IO Iodine monoxide io  
772 SeBr Selenium monobromide sebr  
773 BrCl Bromine monochloride brcl  
774 F2 Fluorine diatomic f2  
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 cl2  
781 Cl2- chlorine diatomic anion cl2-  
782 Cl2+ chlorine diatomic cation cl2+  
783 BrF Bromine monofluoride brf  
784 BrF- bromine fluoride anion brf-  
785 BrF+ bromine fluoride cation brf+  
786 BrCl- bromine chloride anion brcl-  
787 BrCl+ bromine chloride cation brcl+  
788 IF Iodine monofluoride if  
789 Br2 Bromine diatomic br2  
790 Br2- bromine diatomic anion br2-  
791 Br2+ bromine diatomic cation br2+  
792 ICl Iodine monochloride icl  
793 IBr Iodine monobromide ibr  
794 I2 Iodine diatomic i2  
795 I2+ Iodine diatomic cation i2+  
796 HCF Fluoromethylene hcf  
797 HCCl Chloromethylene hccl  
798 HSiF fluorosilylene hsif  
799 HSiCl Chlorosilylene hsicl  
800 HSiBr monobromosilylene hsibr  
801 CHBr bromomethylene chbr  
802 HOF Hypofluorous acid hfo  
803 DOCl Hypochlorous acid-d docl  
804 HOCl hypochlorous acid hocl  
805 HOCl+ hypochlorous acid cation hocl+  
806 HOBr Hypobromous acid hobr  
807 HOBr+ Hypobromous acid cation hobr+  
808 HOI Hypoiodous acid hoi  
809 F2H+ Fluorine, protonated f2h+  
810 FHF Hydrogen difluoride fhf  
811 FHF- Hydrogen difluoride anion fhf-  
812 ClFH+ Chlorine fluoride, F-protonated clfh+  
813 FClH+ Chlorine fluoride, Cl-protonated fclh+  
814 Cl2H+ Chlorine, protonated cl2h+  
815 CH2Br bromomethyl radical ch2br  
816 CH2F fluoromethyl radical ch2f  
817 CH2F+ fluoromethyl cation ch2f+  
818 CH2Cl+ chloromethyl cation ch2cl+  
819 CH2Cl chloromethyl radical ch2cl  
820 NH2F monofluoroamine nh2f  
821 NH2Cl chloramine nh2cl  
822 H2F2 Hydrogen fluoride dimer h2f2  
823 CH3F+ methyl fluoride cation ch3f+  
824 CD3F methylfluoride-d3 cd3f  
825 CH3F Methyl fluoride ch3f  
826 CD3Cl methyl chloride d3 cd3cl  
827 CH3Cl Methyl chloride ch3cl  
828 CH3Cl+ Methyl chloride cation ch3cl+  
829 SiH3F monofluorosilane sih3f  
830 SiH3Cl chlorosilane sih3cl  
831 CH3Br methyl bromide ch3br  
832 GeH3F monofluorogermane geh3f  
833 GeH3Cl monochlorogermane geh3cl  
834 SiH3Br bromosilane sih3br  
835 CH3I methyl iodide ch3i  
836 SiH3I Silyl Iodide sih3i  
837 NH3Cl+ protonated monochloroammonia nh3cl+  
838 CH3ClH+ methyl chloride, protonated ch3clh+  
839 NH4Cl Ammonium chloride nh4cl  
840 LiNe+ Lithium Neon cation line+  
841 Ne2 Neon diatomic ne2  
842 Ne2+ Neon diatomic cation ne2+  
843 Ar2 Argon diatomic ar2  
844 Ar2+ Argon diatomic cation ar2+  
845 Li3 Lithium trimer li3  
846 Li3+ Lithium trimer cation li3+  
847 C3 carbon trimer c3  
848 C3+ carbon trimer cation c3+  
849 SiC2 Silicon dicarbide sic2  
850 C3H3 cyclopropenyl radical cpr  
851 C3H3 Propargyl radical propargyl  
852 C3H3- Propargyl anion c3h3-  
853 C3H3+ cyclopropenyl cation cpr+  
854 C3H3+ Propargyl cation c3h3+  
855 C3H4 cyclopropene cprop  
856 CH2CCH2 allene allene  
857 CH3CCH propyne propyne  
858 C3H5 Allyl radical allyl  
859 C3H5+ Allyl cation allyl+  
860 CH3CHCH 1-propenyl radical ch3chch  
861 Zn(CH3)2 dimethyl zinc dmz  
862 C3H6 Cyclopropane c3h6  
863 CH2CHCH3 Propene propene  
864 C3H7 n-Propyl radical npropyl  
865 C3H7+ cyclopropane, protonated c3h7+  
866 CH3CHCH3 Isopropyl radical isopropyl  
867 CH3CHCH3+ Isopropyl cation prop2yl+  
868 C3H8 Propane propane  
869 SiH2(CH3)2 dimethylsilane dms  
870 Si3H8 trisilane si3h8  
871 LiCN lithium cyanide licn  
872 NaCN Sodium Cyanide nacn  
873 KCN Potassium cyanide kcn  
874 CuCN Copper cyanide cucn  
875 ZnCN Zinc monocyanide zncn  
876 ZnNC Zinc isocyanide znnc  
877 AlCN Aluminum monocyanide alcn  
878 AlNC Aluminum isocyanide alnc  
879 CN2 3H-Diazirin-3-ylidene cn2  
880 CNN Diazocarbene cnn  
881 NCN Cyanoimidogen ncn  
882 N3 azide radical n3  
883 N3- azide anion n3-  
884 N3+ azide cation n3+  
885 HCCN cyanomethylene hccn  
886 HCNN diazomethyl radical hcnn  
887 HN3 hydrogen azide hn3  
888 HN3+ Hydrazoic acid cation hn3+  
889 HNCNH diiminomethane hncnh  
890 CH2N2 diazirine ch2n2  
891 CH2NN diazomethane ch2nn  
892 NH2CN cyanamide cyanamide  
893 HNNNH+ 1,2-Triazadienium n2h3+  
894 NH2NN+ hydrazoic acid, protonated nh2nn+  
895 CH3CN Acetonitrile ch3cn  
896 CH3CN- acetonitrile anion ch3cn-  
897 CH3CN+ Acetonitrile cation ch3cn+  
898 CH3NC methyl isocyanide ch3nc  
899 CHNCH2 2H-Azirine c157164  
900 CHNHCH 1H-Azirine chnhch  
901 H2CCNH Ethenimine ch2cnh  
902 H2CNCH methyleneaminomethylene ch2nch  
903 HCCNH2 Ethynamine hccnh2  
904 HCNCH2+ 2H-Azirine cation hcnch2+  
905 HNCNH2+ diiminomethane, protonated hncnh2+  
906 NCNH3+ Cyanamide, protonated ncnh3+  
907 NH2CNH+ cyanamide, cn protonated nh2cnh+  
908 NH3CN+ cyanamide, amine protonated nh3cn+  
909 CH2CHNH vinylazine ch2chnh  
910 CH3CHN methylmethaniminyl radical ch3chn  
911 NHCHNH2 aminomethanimine cn2h4  
912 C2H5N Aziridine c2h5n  
913 CH2CHNH2 aminoethene aminoethene  
914 CH2NCH3 N-methylmethanimine nmm  
915 CH3CHNH ethanimine ethanimine  
916 NH2BHNH2 diaminoborane nh2bhnh2  
917 C2H5NH+ Protonated Aziridine c2h5nh+  
918 C2H6N+ aziridine, protonated c2h6n+  
919 NH2CH2NH2 diaminomethane nh2ch2nh2  
920 CH3CH2NH2 Ethylamine etam  
921 CH3NHCH3 Dimethylamine ch3nhch3  
922 CH3PHCH3 dimethylphosphine ch3phch3  
923 NH2CH2NH3+ diaminoethane, protonated pdam  
924 (CH3)2NH2+ dimethylammonium cation dmam  
925 CH3CH2NH3+ ethylamine, protonated pea  
926 Li2O dilithium oxide li2o  
927 Li2O+ dilithium oxide cation li2o+  
928 Li2S dilithium sulfide li2s  
929 Na2O disodium monoxide na2o  
930 Na2S Sodium sulfide na2s  
931 LiO2 Lithium dioxide lio2  
932 NaO2 Sodium superoxide nao2  
933 CCO Dicarbon monoxide cco  
934 CNO- fulminate cno-  
935 NCO isocyanato radical nco  
936 NCO- cyanate nco-  
937 SCN thiocyanato radical scn  
938 SCN- thiocyanide anion scn-  
939 BO2 Boron dioxide bo2  
940 BO2- Boron dioxide anion bo2-  
941 BO2+ Boron dioxide cation bo2+  
942 N2O Nitrous oxide n2o  
943 N2O- Nitrous oxide anion n2o-  
944 N2O+ Nitrous oxide cation n2o+  
945 NNS Nitrogen sulfide nns  
946 PPO Phosphorus oxide phosphide ppo  
947 CO2 Carbon dioxide co2  
948 CO2- Carbon dioxide anion co2-  
949 CO2+ Carbon dioxide cation co2+  
950 OCS Carbonyl sulfide cos  
951 OCS+ Carbonyl sulfide cation cos+  
952 SiO2 silicon dioxide sio2  
953 CS2 Carbon disulfide cs2  
954 CS2- Carbon disulfide anion cs2-  
955 CS2+ Carbon disulfide cation cs2+  
956 TiO2 Titanium dioxide tio2  
957 SiS2 Silicon disulfide sis2  
958 GeO2 Germanium dioxide geo2  
959 OCSe Carbonyl selenide ocse  
960 SCSe Carbon sulfide selenide scse  
961 GeS2 Germanium disulfide ges2  
962 CSe2 Carbon diselenide cse2  
963 SCTe Carbon sulfide Telluride scte  
964 NO2 Nitrogen dioxide no2  
965 NO2- Nitrogen dioxide anion no2-  
966 NO2+ Nitrogen dioxide cation no2+  
967 NSO sulfinyl amidogen NSO  
968 PO2- Phosphorus dioxide anion po2-  
969 PO2+ Phosphorus dioxide cation po2+  
970 SNO Nitrogen oxide sulfide sno  
971 AsO2 Aresenic dioxide aso2  
972 O3 Ozone o3  
973 O3- Ozone anion o3-  
974 O3+ Ozone cation o3+  
975 SO2 Sulfur dioxide so2  
976 SO2- Sulfur dioxide anion so2-  
977 SO2+ Sulfur dioxide cation so2+  
978 SSO Disulfur monoxide sso  
979 S3 Sulfur trimer s3  
980 S3- Sulfur trimer anion s3-  
981 S3+ Sulfur trimer cation s3+  
982 SeO2 Selenium dioxide seo2  
983 SeO2+ Selenium dioxide cation seo2+  
984 TeO2 Tellurium Dioxide teo2  
985 HCCO ketenyl radical ketenyl  
986 CS2H+ Carbon disulfide, protonated cs2h+  
987 HCNO fulminic acid hcno  
988 HNCO Isocyanic acid hnco  
989 HOCN cyanic acid hocn  
990 HNCS Isothiocyanic acid hncs  
991 HSCN thiocyanic acid hscn  
992 HCO2- formate anion hco2-  
993 HNNO nitrosoazane hnno  
994 HNNO+ Nitrous oxide, N-protonated hnno+  
995 NNOH+ Nitrous Oxide, O-protonated nnoh+  
996 HCOO formate neutral radical hcoo  
997 HOCO Hydrocarboxyl radical hoco  
998 HOCO+ Hydrocarboxyl cation hoco+  
999 HNO2 Nitrous acid hno2  
1000 HNO2+ nitrous acid cation hno2+  
1001 O3H+ protonated ozone o3h+  
1002 SO2H+ protonated sulfur dioxide so2h+  
1003 C2H2O Oxirene oxirene  
1004 CH2CO Ketene ch2co  
1005 CH2CO+ Ketene cation ch2co+  
1006 HCCOH ethynol hccoh  
1007 CH2CS Thioketene ch2cs  
1008 Be(OH)2 Beryllium hydroxide beo2h2  
1009 Mg(OH)2 Magnesium dihydroxide h2mgo2  
1010 NH2NO Nitrosamide nh2no  
1011 CH2O2 Dioxirane diox  
1012 H2COO Dioxymethyl radical h2coo  
1013 H2COO+ dioxymethyl cation h2coo+  
1014 HCOOH Formic acid ch2o2  
1015 H2O3 Hydrogen trioxide h2o3  
1016 HSSSH trisulfane hsssh  
1017 NaOCH3 Sodium methoxide naoch3  
1018 CH2BOH hydroxy(methylene)borane ch2boh  
1019 BH3CO Borane carbonyl bh3co  
1020 CH3BO Borane, methyloxo- ch3bo  
1021 CH2CHO Vinyloxy radical ch2cho  
1022 CH2COH+ ketene, protonated ch2coh+  
1023 CH3CO Acetyl radical ch3co  
1024 CH3CO- Acetyl anion ch3co-  
1025 CH3CO+ acetyl cation ch3co+  
1026 CH2NOH formaldoxime ch2noh  
1027 CH3NO nitrosomethane ch3no  
1028 CHONH2 formamide formamide  
1029 CNOH3 1,2-oxaziridine cnoh3  
1030 HOCHNH hydroxymethylimine hochnh  
1031 CHSNH2 thioformamide chsnh2  
1032 NHCHSH Methanimidothioic acid nhchsh  
1033 CH2OOH CH2OOH radical ch2ooh  
1034 CH3OO methylperoxy radical ch3oo  
1035 CH3OO- methylperoxy anion ch3oo-  
1036 CH3OO+ methylperoxy cation ch3oo+  
1037 C2H4O Ethylene oxide c2h4o  
1038 C2H4O+ ethylene oxide cation c2h4o+  
1039 CH2CHOH ethenol ch2choh  
1040 CH3CHO Acetaldehyde ch3cho  
1041 CH3CHO+ acetaldehyde cation ch3cho+  
1042 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1043 C2H4S Thiirane thiirane  
1044 CH2CHSH Ethenethiol ch2chsh  
1045 CH3CHS Thioacetaldehyde ch3chs  
1046 H2CONH2+ protonated formamide h2conh2+  
1047 NH2CHOH+ Formamide, O-protonated nh2choh+  
1048 NH3CHO+ Formamide, N-Protonated nh3cho+  
1049 CH2(OH)2 methanediol ch2o2h2  
1050 CH3OOH Methyl peroxide ch3ooh  
1051 CH3SSH Hydrogen methyl disulfide ch3ssh  
1052 HSCH2SH Methanedithiol ch4s2  
1053 H2OH2CO water formaldehyde dimer h2oh2co  
1054 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1055 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1056 CH3CH2O Ethoxy radical ethoxy  
1057 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1058 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1059 CH3OCH2 methoxymethyl radical ch3och2  
1060 NH2CH2OH aminomethanol nh2ch2oh  
1061 CH3CH2OH Ethanol etoh  
1062 CH3OCH3 Dimethyl ether meome  
1063 CH3CH2SH ethanethiol etsh  
1064 CH3SCH3 Dimethyl sulfide mesme  
1065 CH3SCH3+ dimethyl sulfide cation mesme+  
1066 CH3SeCH3 dimethylselenide dmse  
1067 CH3OHH2O methanol water dimer ch3ohh2o  
1068 H2OCH3OH water methanol dimer h2och3oh  
1069 CuF2 Copper difluoride cuf2  
1070 ZnF2 Zinc difluoride znf2  
1071 CNF iso cyanogen fluoride cnf  
1072 FCN Cyanogen fluoride fcn  
1073 ClCN chlorocyanogen clcn  
1074 BrCN Cyanogen bromide brcn  
1075 ICN Cyanogen iodide icn  
1076 FBO Boron monofluoride monoxide fbo  
1077 BeF2 Beryllium fluoride bef2  
1078 MgF2 Magnesium fluoride mgf2  
1079 BeCl2 Beryllium chloride becl2  
1080 MgCl2 Magnesium dichloride mgcl2  
1081 CaCl2 Calcium Chloride cacl2  
1082 ZnCl2 Zinc dichloride zncl2  
1083 BeBr2 Beryllium bromide bebr2  
1084 CaBr2 Calcium dibromide cabr2  
1085 CaF2 Calcium difluoride caf2  
1086 FCO Carbonyl fluoride fco  
1087 FCO+ Carbonyl fluoride cation fco+  
1088 ClCO carbonyl monochloride clco  
1089 BF2 Boron difluoride radical bf2  
1090 FNO Nitrosyl fluoride fno  
1091 ClNO Nitrosyl chloride clno  
1092 FNS Thionitrosyl fluoride fns  
1093 FSN Thiazyl fluoride fsn  
1094 OPCl Phosphorus oxychloride opcl  
1095 BrNO Nitrosyl bromide brno  
1096 INO Nitrosyl iodide ino  
1097 CF2 Difluoromethylene cf2  
1098 CF2- Difluoromethylene anion cf2-  
1099 CF2+ Difluoromethylene cation cf2+  
1100 CFCl chlorofluoromethylene cfcl  
1101 SiF2 Silicon difluoride sif2  
1102 SiF2+ Silicon difluoride cation sif2+  
1103 CCl2- dichloromethylene anion ccl2-  
1104 CCl2+ dichloromethylene cation ccl2+  
1105 SiCl2 Dichlorosilylene sicl2  
1106 GeF2 Germanium difluoride gef2  
1107 GeCl2 Germanium dichloride gecl2  
1108 CBr2 dibromomethylene cbr2  
1109 FOO Dioxygen monofluoride radical foo  
1110 FOO+ Fluorine dioxide cation foo+  
1111 ClOO chloroperoxy radical cloo  
1112 ClOO+ chloroperoxy cation cloo+  
1113 OClO Chlorine dioxide oclo  
1114 OClO- Chlorine dioxide anion oclo-  
1115 OClO+ Chlorine dioxide cation oclo+  
1116 ClSO Sulfur chloride oxide clso  
1117 ClS2 Sulfur chloride cls2  
1118 BrOO Bromine dioxide broo  
1119 OBrO Bromine dioxide radical obro  
1120 NF2 Difluoroamino radical nf2  
1121 NF2+ Difluoroamino cation nf2+  
1122 PF2 Phosphorus difluoride pf2  
1123 PF2+ Phosphorus difluoride cation pf2+  
1124 FClO chlorosyl fluoride fclo  
1125 F2O Difluorine monoxide f2o  
1126 ClOF Chlorine hypofluorite clof  
1127 SF2 sulfur difluoride sf2  
1128 SF2- sulfur difluoride anion sf2-  
1129 SF2+ sulfur difluoride cation sf2+  
1130 Cl2O Dichlorine monoxide cl2o  
1131 SCl2 Sulfur dichloride scl2  
1132 SeF2 Selenium difluoride sef2  
1133 BrOCl Bromine hypochlorite brocl  
1134 SeCl2 Selenium Dichloride secl2  
1135 SBr2 Sulfur dibromide sbr2  
1136 SeBr2 Selenium dibromide sebr2  
1137 BrOBr Bromine oxide brobr  
1138 F3- trifluoride anion f3-  
1139 Cl3- trichloride anion cl3-  
1140 Br3- tribromide anion br3-  
1141 I3- triiodide i3-  
1142 SFCl Sulfur chloride fluoride sfcl  
1143 HCCF Fluoroacetylene hccf  
1144 HCCF+ fluoroacetylene cation hccf+  
1145 HCCCl Chloroacetylene hcccl  
1146 HCCBr bromoacetylene hccbr  
1147 HFCO formyl fluoride hfco  
1148 HFCO+ formyl fluoride cation hfco+  
1149 COHCl Formyl chloride cohcl  
1150 COHBr Formyl bromide cohbr  
1151 BHF2 Difluoroborane bhf2  
1152 BHCl2 Borane, dichloro- bhcl2  
1153 CHCl2 dichloromethyl radical chcl2  
1154 CHF2 difluoromethyl radical chf2  
1155 CHF2+ difluoromethyl cation chf2+  
1156 CHFCl Chlorofluoromethyl radical chfcl  
1157 CHFCl+ Chlorofluoromethyl cation chfcl+  
1158 CHCl2+ dichloromethyl cation chcl2+  
1159 CHBr2 dibromomethyl radical chbr2  
1160 HOClO Chlorous acid hoclo  
1161 NHF2 difluoramine nhf2  
1162 NHCl2 dichloroamine nhcl2  
1163 CH2F2 Methane, difluoro- ch2f2  
1164 CH2FCl fluorochloromethane ch2fcl  
1165 SiH2F2 difluorosilane sih2f2  
1166 CH2Cl2 Methylene chloride ch2cl2  
1167 CH2BrF Methane, bromofluoro- ch2fbr  
1168 CH2BrCl Methane, bromochloro- ch2clbr  
1169 CH2FI fluoroiodomethane ch2fi  
1170 CH2Br2 dibromomethane ch2br2  
1171 CH2ClI chloroiodomethane ch2cli  
1172 CH2BrI bromoiodomethane ch2bri  
1173 CH2I2 Diiodomethane ch2i2  
1174 SiH2Cl2 dichlorosilane sih2cl2  
1175 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1176 CH2CHF Ethene, fluoro- ch2chf  
1177 CH2CHF+ fluoroethene cation ch2chf+  
1178 C2H3Cl Ethene, chloro- ch2chcl  
1179 C2H3Br vinyl bromide c2h3br  
1180 C2H3I Vinyl iodide c2h3i  
1181 CH2FOH fluoromethanol ch2foh  
1182 CH3OCl methyl hypochlorite ch3ocl  
1183 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1184 CHClCH3 1-chloroethyl radical chclch3  
1185 C2H5F fluoroethane c2h5f  
1186 CH3CH2Cl Ethyl chloride c2h5cl  
1187 CH3SiFH2 fluoromethylsilane ch3sifh2  
1188 C2H5Br Ethyl bromide etbr  
1189 C2H5I Ethyl iodide c2h5i  
1190 KrF2 Krypton difluoride krf2  
1191 XeF2 Xenon difluoride xef2  
1192 B4H10 Tetraborane(10) b4h10  
1193 C4 Carbon tetramer c4  
1194 C4+ Carbon tetramer cation c4+  
1195 C4H2 Diacetylene c4h2  
1196 C4H2+ diacetlyene cation c4h2+  
1197 C2H3CCH 1-Buten-3-yne c2h3cch  
1198 C4H4 cyclobutadiene cbd  
1199 C4H4 Tetrahedrane c4h4  
1200 H2CCCCH2 Butatriene h2cccch2  
1201 C4H6 1-Methylcyclopropene c3100047  
1202 C4H6 Cyclobutene c822355  
1203 C4H6 Methylenecyclopropane c6142730  
1204 CH2CCHCH3 1,2-Butadiene butad12  
1205 CH2CHCHCH2 1,3-Butadiene c106990  
1206 CH3CCCH3 2-Butyne c503173  
1207 CHCCH2CH3 1-Butyne c107006  
1208 CH3CHCHCH2 methylallyl radical c4h7  
1209 C4H8 methylcyclopropane mcp  
1210 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1211 CH2CHCH2CH3 1-Butene bute1  
1212 CH3CHCHCH3 2-Butene, (E)- bute2e  
1213 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1214 B(CH3)3 trimethylborane bme3  
1215 Al(CH3)3 trimethyl aluminum tma  
1216 C(CH3)3 Tert-butyl radical tbutyl  
1217 CH2CH(CH3)2 Isobutyl radical isobutyl  
1218 CH3CHCH2CH3 2-Butyl radical butyl2  
1219 CH3CH(CH3)CH3 Isobutane isobutane  
1220 CH3CH2CH2CH3 Butane butane  
1221 SiH(CH3)3 trimethylsilane trimsi  
1222 Li3N trilithium nitride li3n  
1223 C2N2 Cyanogen c2n2  
1224 C2N2+ Cyanogen cation c2n2+  
1225 P4 Phosphorus tetramer p4  
1226 As4 Arsenic tetramer as4  
1227 HCCCN Cyanoacetylene hcccn  
1228 HCCCN+ Cyanoacetylene cation hcccn+  
1229 H2CNCN cyanamide, methylene ch2ncn  
1230 HNCCNH Ethenediimine hnccnh  
1231 C3H3N acrylonitrile ch2chcn  
1232 C3H3N+ acrylonitrile cation ch2chcn+  
1233 CH3N3 methyl azide ch3n3  
1234 NH2CCNH2 Diaminoacetylene daa  
1235 NH2CH2CN Aminoacetonitrile aan  
1236 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1237 C2H5CN ethyl cyanide c2h5cn  
1238 CH5N3 Guanidine guanidine  
1239 C4H6 Bicyclo[1.1.0]butane c157335  
1240 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1241 H2NCHCHNH2 diaminoethylene dae  
1242 CH6N3+ guanidinium ch6n3+  
1243 C3H7N Cyclopropylamine cpram  
1244 CH7N3 triaminomethane tam  
1245 C3H7N Azetidine azet  
1246 C4H8 cyclobutane cbutane  
1247 C2H8N2 Ethylenediamine ethdiam  
1248 CH3NHNHCH3 dimethyl hydrazine dmh  
1249 CH3CH(NH2)CH3 2-Propanamine pram2  
1250 N(CH3)3 Trimethylamine trimeam  
1251 NH2CH2CH2CH3 1-Propanamine pram1  
1252 P(CH3)3 trimethylphosphine tmp  
1253 N(SiH3)3 trisilylamine tsa  
1254 As(CH3)3 trimethyl arsine tmas  
1255 (CH3)3NH+ protonated trimethyl amine ptma  
1256 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1257 Li2O2 dilithium dioxide li2o2  
1258 Na2O2 disodium dioxide na2o2  
1259 K2O2 dipotassium dioxide k2o2  
1260 C3O Tricarbon monoxide c3o  
1261 B2O2 Diboron dioxide b2o2  
1262 ONNO NO dimer onno  
1263 S2N2 Disulfur dinitride s2n2  
1264 CO3 Carbon trioxide co3  
1265 CO3-- carbonate co3--  
1266 CS3-- Carbonotrithioate cs3--  
1267 NO3 Nitrogen trioxide no3  
1268 NO3- nitrate anion no3-  
1269 NO3+ nitrogen trioxide cation no3+  
1270 SO3 Sulfur trioxide so3  
1271 SO3- Sulfur trioxide anion so3-  
1272 SO3-- Sulfate dianion so3--  
1273 SO3+ Sulfur trioxide cation so3+  
1274 SeO3 selenium trioxide seo3  
1275 S4 Sulfur tetramer s4  
1276 TeO3 Tellurium trioxide teo3  
1277 HCO3- bicarbonate anion hco3-  
1278 HNO3 Nitric acid hno3  
1279 HSO3 Hydroxysulfonyl radical hso3  
1280 NH2NO2 nitramide nh2no2  
1281 C2H2CO cyclopropenone c2h2co  
1282 C3H2O Propadienal c3h2o  
1283 HCCCHO 2-propynal hcccho  
1284 C2H2O2 Ethanedial c2h2o2  
1285 C2H2O2+ Ethanedial cation c2h2o2+  
1286 H2CO3 Carbonic acid h2co3  
1287 H2CS3 thiocarbonic acid h2cs3  
1288 H2NO3+ Nitric Acid, Protonated h2no3+  
1289 H2SO3 Sulfurous acid h2so3  
1290 C2H3NO Nitrosoethylene c2h3no  
1291 CH3NCO methylisocyante ch3nco  
1292 HOCH2CN cyanomethanol hoch2cn  
1293 CH3COO- acetate anion ch3coo-  
1294 CH3NO2 Methane, nitro- ch3no2  
1295 CH3ONO Methyl nitrite ch3ono  
1296 NH2COOH Carbamic acid nh2cooh  
1297 H3BO3 Boric acid h3bo3  
1298 H3AlO3 Aluminum hydroxide h3alo3  
1299 H3CO3+ carbonic acid, protonated h3co3+  
1300 C3H4O 2-Propyn-1-ol c107197  
1301 C3H4O allenol c9000071  
1302 C3H4O Cyclopropanone cpone  
1303 C3H4O Methylketene c6004440  
1304 CH2CHCHO Acrolein c3h4o  
1305 NH2CONH2 Urea urea  
1306 NH2CONH2+ Urea cation urea+  
1307 NH2CSNH2 Thiourea thiourea  
1308 C2H4O2 1,3-dioxetane c2h4o2  
1309 CH3COOH Acetic acid ch3cooh  
1310 CH3OCHO methyl formate ch3ocho  
1311 CHOCH2OH hydroxy acetaldehyde haa  
1312 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1313 NH3COOH+ protonated Carbamic acid nh3cooh+  
1314 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1315 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1316 HCOOHH2O Formic acid water dimer hcoohh2o  
1317 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1318 CH3COCH2 Acetonyl radical ch3coch2  
1319 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1320 CH3C(OH)=NH Ethaninidic acid eia  
1321 CH3CHNOH Acetaldoxime acetaldoxime  
1322 CH3CONH2 Acetamide acetamide  
1323 HCONHCH3 N-methylformamide nmfa  
1324 CH3CSNH2 Ethanethioamide ch3csnh2  
1325 CH5N2O+ urea, N-protonated ch4n2o+  
1326 H2NCOHNH2+ urea, protonated ureah+  
1327 C2H5OO ethylperoxy radical c2h5oo  
1328 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1329 C3H5OH Cyclopropanol cproh  
1330 C3H6O 2-Propen-1-ol c107186  
1331 C3H6O Acetone enol enol  
1332 C3H6O Oxetane oxetane  
1333 C3H6O Propylene oxide prox  
1334 CH3CH2CHO Propanal propanal  
1335 CH3COCH3 Acetone acetone  
1336 CH3COCH3- acetone anion ch3coch3-  
1337 C3H6S Thietane thietane  
1338 C3H6S Thiirane, methyl- methiirane  
1339 CH3CSCH3 Thioacetone ch3csch3  
1340 C2H6O2 1,2-Ethanediol ethdiol  
1341 CH3OOCH3 dimethylperoxide dmp  
1342 CH3SOCH3 Dimethyl sulfoxide dmso  
1343 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1344 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1345 CH3COHCH3+ acetone, protonated acetoneh+  
1346 HOCH2CH2NH2 monoethanolamine mea  
1347 C3H7OH 1-Propanol proh  
1348 CH3CHOHCH3 Isopropyl alcohol isoproh  
1349 CH3OC2H5 Ethane, methoxy- etome  
1350 C3H7SH 1-Propanethiol prsh  
1351 CH3CHSHCH3 2-Propanethiol isoprsh  
1352 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1353 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1354 Li2F2 Lithium fluoride dimer li2f2  
1355 Na2F2 Sodium Fluoride Dimer na2f2  
1356 Na2Cl2 Disodium dichloride na2cl2  
1357 C2F2 difluoroacetylene c2f2  
1358 C2Cl2 dichloroacetylene c2cl2  
1359 C2Cl2+ dichloroacetylene cation c2cl2+  
1360 FNO2 Nitryl fluoride fno2  
1361 FONO Nitrosyl hypofluorite fono  
1362 ClNO2 Nitryl chloride clno2  
1363 ClONO chlorine nitrite clono  
1364 BrONO Bromine nitrite brono  
1365 N2F2 (Z)-Difluorodiazene n2f2_z  
1366 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1367 CF2O Carbonic difluoride f2co  
1368 CF2O+ Carbonic difluoride cation f2co+  
1369 COFCl Carbonic chloride fluoride cofcl  
1370 CCl2O Phosgene cl2co  
1371 Cl2CS Thiophosgene cl2cs  
1372 COBr2 Carbonic dibromide cobr2  
1373 BF3 Borane, trifluoro- bf3  
1374 BF3- Borane, trifluoro- anion bf3-  
1375 BF3+ boron trifluoride cation bf3+  
1376 AlF3 Aluminum trifluoride alf3  
1377 BClF2 Chlorodifluoroborane bclf2  
1378 AlF2Cl Aluminum chloride difluoride alclf2  
1379 ScF3 Scandium trifluoride ScF3  
1380 AlFCl2 Aluminum dichloride fluoride alcl2f  
1381 BCl3 Borane, trichloro- bcl3  
1382 BCl3+ Boron Trichloride cation bcl3+  
1383 GaF3 Gallium trifluoride gaf3  
1384 AlCl3 Aluminum trichloride alcl3  
1385 GaCl3 Gallium trichloride gacl3  
1386 BBr3 Boron tribromide bbr3  
1387 AlBr3 Aluminum Bromide albr3  
1388 ClO3 Chlorine trioxide clo3  
1389 ClO3- chlorate anion clo3-  
1390 BrO3- Bromate anion bro3-  
1391 CF3 Trifluoromethyl radical cf3  
1392 CF3- Trifluoromethyl anion cf3-  
1393 CF3+ Trifluoromethyl cation cf3+  
1394 CF2Cl difluorochloromethyl radical cf2cl  
1395 SiF3 Silicon trifluoride radical sif3  
1396 SiF3+ Silicon trifluoride cation sif3+  
1397 CFCl2 dichlorofluoromethyl radical cfcl2  
1398 CCl3 Trichloromethyl radical ccl3  
1399 CCl3- Trichloromethyl anion ccl3-  
1400 CCl3+ Trichloromethyl cation ccl3+  
1401 SiCl3 trichlorosilyl radical sicl3  
1402 SiCl3+ trichlorosilyl cation sicl3+  
1403 CBr3 tribromomethyl radical cbr3  
1404 FOOF Perfluoroperoxide foof  
1405 ClO2F Chloryl fluoride clo2f  
1406 F2SO Thionyl Fluoride f2so  
1407 ClOOCl Dichlorine dioxide cloocl  
1408 FSSF Difluorodisulfane fssf  
1409 S2F2 Thio-thionyl fluoride s2f2  
1410 SOCl2 thionyl chloride socl2  
1411 SSCl2 Thiothionyl chloride sscl2  
1412 SeOCl2 selenium oxychloride seocl2  
1413 NF3 Nitrogen trifluoride nf3  
1414 NF3- Nitrogen trifluoride anion nf3-  
1415 NF3+ Nitrogen trifluoride cation nf3+  
1416 PF3 Phosphorus trifluoride pf3  
1417 NCl3 nitrogen trichloride ncl3  
1418 AsF3 Arsenic trifluoride asf3  
1419 PCl3 Phosphorus trichloride pcl3  
1420 SbF3 Antimony Trifluoride sbf3  
1421 AsCl3 Arsenous trichloride ascl3  
1422 SbCl3 Antimony Trichloride sbcl3  
1423 NBr3 Nitrogen Tribromide nbr3  
1424 PBr3 Phosphorus tribromide pbr3  
1425 AsBr3 Arsenic tribromide asbr3  
1426 NI3 Nitrogen triiodide ni3  
1427 PI3 Phosphorus triiodide pi3  
1428 ClSSCl Disulfur dichloride s2cl2  
1429 SF3 Sulfur trifluoride sf3  
1430 ClF3 Chlorine trifluoride clf3  
1431 BrF3 Bromine trifluoride brf3  
1432 IF3 iodone trifluoride if3  
1433 HClO3 Chloric Acid hclo3  
1434 CHF3 Methane, trifluoro- chf3  
1435 CHF2Cl difluorochloromethane chf2cl  
1436 SiHF3 trifluorosilane sihf3  
1437 CHFCl2 fluorodichloromethane chfcl2  
1438 CDCl3 trichloromethane-d cdcl3  
1439 CHCl3 Chloroform chcl3  
1440 CHBrF2 Methane, bromodifluoro- chbrf2  
1441 SiHCl3 Trichlorosilane sihcl3  
1442 CHFClBr fluorochlorobromomethane chfclbr  
1443 CHBrCl2 Methane, bromodichloro- chbrcl2  
1444 CHF2I difluoroiodomethane chf2i  
1445 CHBr2F dibromofluoromethane chbr2f  
1446 CHFClI fluorochloroiodomethane chfcli  
1447 CHCl2I dichloroiodomethane chcl2i  
1448 CHClBr2 Methane, dibromochloro- chclbr2  
1449 CHBr3 bromoform chbr3  
1450 CHI3 Iodoform chi3  
1451 NF3H+ protonated nitrogen trifluoride nf3h+  
1452 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1453 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1454 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1455 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1456 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1457 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1458 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1459 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1460 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1461 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1462 C2H2Br2 1,1-dibromoethene c2h2br2  
1463 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1464 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1465 CH2FCHO Fluoroacetaldehyde ch2fcho  
1466 CH3COF Acetyl fluoride ch3cof  
1467 CH2ClCHO chloroacetaldehyde ch2clcho  
1468 CH3COCl Acetyl Chloride ch3cocl  
1469 C2H4F2 1,2-difluoroethane c2h4f2  
1470 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1471 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1472 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1473 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1474 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1475 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1476 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1477 CH2CFCH3 2-fluoropropene 2fpro  
1478 CH2CHCH2F Allyl Fluoride allylf  
1479 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1480 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1481 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1482 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1483 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1484 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1485 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1486 CH2FCH2CH3 1-Fluoropropane prf1  
1487 CH3CHFCH3 2-Fluoropropane prf2  
1488 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1489 CH3CHClCH3 Propane, 2-chloro- prcl2  
1490 CH3CH2CH2Br n-propyl bromide prbr  
1491 CH3CHBrCH3 i-propyl bromide iprbr  
1492 C3H9O+ trimethyl oxonium cation c3h9o+  
1493 B5H9 pentaborane9 b5h9  
1494 C5H4 pentatetraene ptrene  
1495 C5H5 cyclopentadienyl radical c5h5  
1496 C5H5- cylopentadienyl anion c5h5-  
1497 C5H6 1,3-Cyclopentadiene c542927  
1498 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1499 C5H6 3-Penten-1-yne, (E)- c2004695  
1500 C5H6 3-Penten-1-yne, (Z)- c1574409  
1501 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1502 C5H6 Cyclopropylacetylene c6746947  
1503 C5H6 Propellane propellane  
1504 C5H7 1,3-pentadienyl radical pdyl  
1505 C5H7 cyclopentenyl radical cpyl  
1506 C5H8 1,2-Butadiene, 3-methyl- c598254  
1507 C5H8 1,2-Pentadiene c591957  
1508 C5H8 1,3-Butadiene, 2-methyl- c78795  
1509 C5H8 1,3-Pentadiene, (E)- c2004708  
1510 C5H8 1,3-Pentadiene, (Z)- c1574410  
1511 C5H8 1,4-Pentadiene c591935  
1512 C5H8 1-pentyne a1pentyne  
1513 C5H8 2,3-Pentadiene c591968  
1514 C5H8 Bicyclo[1.1.1]pentane bcp  
1515 C5H8 Cyclobutane, methylene- c1120565  
1516 C5H8 Cyclopentene c142290  
1517 C5H8 Ethenylcyclopropane c693867  
1518 CH3CCCH2CH3 2-Pentyne 2pentyne  
1519 C5H10 1-Butene, 2-methyl- c563462  
1520 C5H10 2-Butene, 2-methyl- c513359  
1521 C5H10 2-Pentene, (E)- c646048  
1522 C5H10 2-Pentene, (Z)- c627203  
1523 C5H10 Cyclopentane c287923  
1524 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1525 CH2CHCH2CH2CH3 1-pentene pentene  
1526 C5H11 2-Methylbut-2-yl radical c4348350  
1527 C5H12 Butane, 2-methyl- buta2  
1528 C5H12 Pentane pentane  
1529 C5H12 Propane, 2,2-dimethyl- neopentane  
1530 Si(CH3)4 tetramethylsilane tms  
1531 N2O3 Dinitrogen trioxide n2o3  
1532 C3H2N2 Malononitrile c3h2n2  
1533 CH2N4 1H-Tetrazole 1htz  
1534 C3H3N2 imidazolyl radical im  
1535 C3H3N2- imidizolyl anion im-  
1536 C2H3N3 1H-1,2,4-Triazole c288880  
1537 C4H4N pyrrolide radical c4h4n  
1538 C4H4N- pyrrolide anion c4h4n-  
1539 C3H4N2 1H-Imidazole 1himidaz  
1540 C3H4N2 1H-Pyrazole 1hpyraz  
1541 C3H4N2 2H-Imidazole imid2h  
1542 C3H4N2 4H-Imidazole imid4h  
1543 C4H5N (E)-2-Butenenitrile c627269  
1544 C4H5N (Z)-2-Butenenitrile c1190767  
1545 C4H5N 2H-pyrrole pyrrole2  
1546 C4H5N 3H-pyrrole pyrrole3  
1547 C4H5N Cyclopropanecarbonitrile c5500210  
1548 C4H5N Pyrrole pyrrole  
1549 CH2CHCH2CN Allylcyanide ch2chch2cn  
1550 C4H6N+ pyrrole, alpha-protonated appyr  
1551 C4H6N+ pyrrole, beta-protonated bppyr  
1552 C4H6N+ pyrrole, protonated ppyr  
1553 C3H6N2 3-Aminopropionitrile c151188  
1554 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1555 CH3CH2CH2CN Butanenitrile c109740  
1556 C5H8 Bicyclo[2.1.0]pentane c185944  
1557 C5H8 Spiropentane c157404  
1558 C4H9N Cyclobutylamine cbam  
1559 C4H9N Pyrrolidine pyrrolidine  
1560 C3H10N2 1,2-Diaminopropane diampr12  
1561 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1562 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1563 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1564 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1565 NH(C2H5)2 diethylamine dea  
1566 NC4H12+ tetramethyl ammonium cation nc4h12+  
1567 C3O2 Carbon suboxide c3o2  
1568 C3O2+ Carbon suboxide cation c3o2+  
1569 B2O3 diboron trioxide b2o3  
1570 MgCO3 Magnesium Carbonate mgco3  
1571 BeCO3 Beryllium Carbonate beco3  
1572 CaCO3 Calcium Carbonate caco3  
1573 ONONO Nitrosyl nitrite onono  
1574 PO4--- phosphate po4---  
1575 SO4-- sulfate so4--  
1576 HOONO2 peroxy nitric acid hoono2  
1577 HSO4- bisulfate anion hso4-  
1578 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1579 C3H2O2 Propiolic acid c3h2o2  
1580 CHOCOOH oxo acetic acid oaa  
1581 CHOOCHO diformyl ether choocho  
1582 H2SO4 Sulfuric acid h2so4  
1583 H2SeO4 Selenic acid h2seo4  
1584 C3H3NO Isoxazole isox  
1585 C3H3NO Oxazole oxazole  
1586 C3H3NS Thiazole thiazole  
1587 CH3C(O)OO acetyl peroxy radical ch3coo2  
1588 CH3NO3 Methyl nitrate ch3no3  
1589 H3PO4 Phosphoric Acid h3po4  
1590 C4H4O Furan furan  
1591 C4H4O+ Furan cation furan+  
1592 CH3COCCH 3-butyn-2-one c1423605  
1593 C4H4S Thiophene furans  
1594 C4H4Se selenophene c4h4se  
1595 C3H4O2 β–Propiolactone beta  
1596 C3H4O2 2-Propenoic acid propenoic2  
1597 C3H4O2 Methyl glyoxal megly  
1598 C3H4O2 propanedial propanedial  
1599 C3H4O2 propenalol propenalol  
1600 HOCHCCHOH allenediol aldiol  
1601 C2H4O3 1,2,3-trioxolane c2h4o3  
1602 C2H4O3 trioxolane124 triox  
1603 HOCH2COOH Hydroxyacetic acid hac  
1604 CH2CHCONH2 Acrylamide c79061  
1605 CH3OCH2CN Methoxyacetonitrile c1738369  
1606 CH5N3S Hydrazinecarbothioamide c79196  
1607 H2NCH2COOH Glycine glycine  
1608 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1609 C4H6O cis-2-butenal butenal2c  
1610 C4H6O Cyclobutanone cbutone  
1611 C4H6O Furan, 2,3-dihydro- furan23h  
1612 C4H6O Furan, 2,5-dihydro- furan25h  
1613 CH2CHOCHCH2 Vinyl ether vinylether  
1614 CHOCHCHCH3 2-Butenal butenal2  
1615 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1616 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1617 CH2CHSCHCH2 Divinyl sulfide divis  
1618 C2H6N2O Urea, methyl- c598505  
1619 C3H6O2 1,3-Dioxolane dioxolane  
1620 CH3CH2COOH Propanoic Acid propanoic  
1621 CH3COOCH3 methyl acetate aame  
1622 HCOOC2H5 Ethyl formate faee  
1623 C2H6O2S Dimethyl sulfone c67710  
1624 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1625 C3H7NO dimethylformamide dmf  
1626 C3H7NO Propanamide propanam  
1627 C2H3OC2H5 Ethene, ethoxy- c109922  
1628 C4H8O Cyclobutanol c2919235  
1629 C4H8O Furan, tetrahydro- thf  
1630 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1631 CH3COCH2CH3 2-Butanone buta2one  
1632 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1633 CHOCH2CH2CH3 Butanal butanal  
1634 C4H8S Thiophene, tetrahydro- tht  
1635 C3H8O2 1,3-Propanediol c504632  
1636 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1637 C3H8O2 Methane, dimethoxy- c109875  
1638 C3H8O2 Propylene glycol c57556  
1639 C3H8S2 1,3-Propanedithiol c109808  
1640 C4H10O 1-Butanol butanol1  
1641 C4H10O 1-Propanol, 2-methyl- c78831  
1642 C4H10O 2-Butanol, (.+/-.)- butanol2  
1643 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1644 C4H10O Ethoxy ethane etoet  
1645 C4H10O Methyl propyl ether meopr  
1646 C4H10O Propane, 2-methoxy- c598538  
1647 C4H10O+ 1-Butanol cation butanol1+  
1648 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1649 C2H5SC2H5 Diethyl sulfide etset  
1650 C4H9SH 1-Butanethiol bush  
1651 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1652 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1653 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1654 FNO3 Fluorine nitrate fno3  
1655 ClONO2 Chlorine nitrate clono2  
1656 BrONO2 Bromine nitrate brono2  
1657 TiCl4 Titanium tetrachloride ticl4  
1658 ClO4- perchlorate anion clo4-  
1659 BF4- tetrafluoroboron anion bf4-  
1660 ClFO3 Perchloryl fluoride clfo3  
1661 SO2F2 Sulfuryl fluoride so2f2  
1662 SO2Cl2 Sulfuryl chloride so2cl2  
1663 F3NO Nitrogen trifluoride oxide f3no  
1664 F3PO Phosphoryl fluoride pf3o  
1665 Cl3PO Phosphoryl chloride pcl3o  
1666 CF4 Carbon tetrafluoride cf4  
1667 CF3Cl Methane, chlorotrifluoro- cf3cl  
1668 SiF4 Silicon tetrafluoride sif4  
1669 CF2Cl2 difluorodichloromethane cf2cl2  
1670 TiF4 Titanium tetrafluoride tif4  
1671 CFCl3 Trichloromonofluoromethane cfcl3  
1672 CF3Br Bromotrifluoromethane cf3br  
1673 GeF4 Germanium tetrafluoride gef4  
1674 CCl4 Carbon tetrachloride ccl4  
1675 CCl4+ Carbon tetrachloride cation ccl4+  
1676 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1677 SiCl4 Silane, tetrachloro- sicl4  
1678 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1679 CF3I trifluoroiodomethane cf3i  
1680 CBrCl3 Methane, bromotrichloro- cbrcl3  
1681 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1682 GeCl4 Germanium Tetrachloride gecl4  
1683 CBr2ClF dibromochlorofluoromethane cbr2clf  
1684 CBr2Cl2 dibromodichloromethane cbr2cl2  
1685 CCl3I trichloroiodomethane ccl3i  
1686 CFBr3 fluorotribromomethane cfbr3  
1687 CFClBrI fluorochlorobromoiodomethane cfclbri  
1688 CBr3Cl tribromochloromethane cbr3cl  
1689 CF2I2 difluorodiiodomethane cf2i2  
1690 CBr4 Carbon tetrabromide cbr4  
1691 CCl2I2 dichlorodiiodomethane ccl2i2  
1692 SiBr4 Silicon tetrabromide sibr4  
1693 CBr3I tribromoiododmethane cbr3i  
1694 GeBr4 Germanium tetrabromide gebr4  
1695 CI4 tetraiodomethane ci4  
1696 SiI4 silicon tetraiodide sii4  
1697 ClOF3 Chlorine trifluoride oxide clof3  
1698 SF4 Sulfur tetrafluoride sf4  
1699 SeF4 Selenium tetrafluoride sef4  
1700 SCl4 Sulfur tetrachloride scl4  
1701 C2HF3 Trifluoroethylene c2hf3  
1702 C2HF3+ Trifluoroethylene cation c2hf3+  
1703 CHClCCl2 Trichloroethylene chclccl2  
1704 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1705 HClO4 perchloric acid hclo4  
1706 HSO3F Fluorosulfonic acid hso3f  
1707 CF3OH trifluoromethanol cf3oh  
1708 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1709 CHClCCHCl 1,3-dichloroallene chclcchcl  
1710 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1711 CHCl2CHO dichloroacetaldehyde chcl2cho  
1712 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1713 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1714 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1715 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1716 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1717 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1718 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1719 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1720 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1721 NH3BCl3 Amminetrichloroboron nh3bcl3  
1722 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1723 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1724 C3H5ClO Oxirane, (chloromethyl)- c106898  
1725 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1726 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1727 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1728 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1729 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1730 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1731 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1732 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1733 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1734 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1735 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1736 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1737 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1738 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1739 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1740 C4H9F 1-fluorobutane butaf1  
1741 CH3CHFCH2CH3 2-fluorobutane butaf2  
1742 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1743 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1744 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1745 XeF4 Xenon tetrafluoride xef4  
1746 C2H2N2O Furazan furazan  
1747 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1748 NH3BF3 Amminetrifluoroboron nh3bf3  
1749 C6H2 hexatriyne c6h2  
1750 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1751 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1752 C6H4 Benzyne benzyne  
1753 C6H5 phenyl phenyl  
1754 C6H5- phenyl anion phenyl-  
1755 C6H6 Prismane prismane  
1756 C6H6 1,2,4,5-Hexatetraene ht1245  
1757 C6H6 2,4-Hexadiyne hexadiyne  
1758 C6H6 3,4-Dimethylenecyclobutene cb34m  
1759 C6H6 Benzene benzene  
1760 C6H6 Benzvalene bv  
1761 C6H6 Dewar Benzene dewar  
1762 C6H6 Hexa-1,5-diene-3-yne hdy153  
1763 C6H6 Trimethylenecycopropane tmcp  
1764 C6H6+ Benzene cation c6h6+  
1765 C6H7+ benzene, protonated c6h7+  
1766 C6H8 (E)-hexa-1,3,5-triene c821078  
1767 C6H8 (E)-hexa-2,3,4-triene c59660650  
1768 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1769 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1770 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1771 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1772 C6H8 3-Methylenecyclopentene c930267  
1773 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1774 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1775 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1776 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1777 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1778 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1779 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1780 C6H10 1,5-Hexadiene c592427  
1781 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1782 C6H10 1-Hexyne hexyne1  
1783 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1784 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1785 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1786 C6H10 2-Hexyne c764352  
1787 C6H10 3-Hexyne hexyne3  
1788 C6H10 cyclohexene cyclohexene  
1789 C6H10 Cyclopentene, 1-methyl- c693890  
1790 C6H10 Cyclopentene, 3-methyl- c1120623  
1791 C6H10 Cyclopentene, 4-methyl- c1759815  
1792 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1793 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1794 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1795 C6H12 (E)-2-Hexene e2hexene  
1796 C6H12 (E)-3-methylpent-2-ene c616126  
1797 C6H12 (E)-hex-3-ene e3hexene  
1798 C6H12 (Z)-3-methylpent-2-ene c922623  
1799 C6H12 (Z)-hex-2-ene z2hexene  
1800 C6H12 (Z)-hex-3-ene z3hexene  
1801 C6H12 2,3-dimethylbut-1-ene c563780  
1802 C6H12 2,3-dimethyl-but-2-ene tmeet  
1803 C6H12 3-methylenepentane c760214  
1804 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1805 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1806 C6H12 Cyclohexane cyclohexane  
1807 C6H12 Cyclopentane, methyl- c96377  
1808 C6H12 Ethylcyclobutane c4806615  
1809 C6H12 hex-1-ene hexene1  
1810 C6H14 Butane, 2,2-dimethyl- buta22  
1811 C6H14 Butane, 2,3-dimethyl- buta23  
1812 C6H14 Hexane hexane  
1813 C6H14 Pentane, 2-methyl- penta2  
1814 C6H14 Pentane, 3-methyl- penta3  
1815 C4N2 2-Butynedinitrile c4n2  
1816 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1817 C4H2N2 Fumaronitrile c4h2n2  
1818 C2H2N4 sym-tetrazine ttz  
1819 C3H3N3 1,3,5-Triazine triazine135  
1820 CH3N5 5-Aminotetrazole c4418615  
1821 C4H4N2 1,3-Diazine diazine13  
1822 C4H4N2 Pyrazine pyrazine  
1823 C4H4N2 Pyridazine pyridazine  
1824 C4H4N2 Succinonitrile c110612  
1825 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1826 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1827 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1828 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1829 C5H5N E-2,4-pentadienenitrile bdcn  
1830 C5H5N Pyridine pyridine  
1831 B3N3H6 borazine borazine  
1832 C6H6 Fulvene fulvene  
1833 C5H6N+ Pyridinium c5h6n  
1834 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1835 C5H7N (E)-2-Pentenenitrile c26294984  
1836 C5H7N (E)-3-Pentenenitrile c16529661  
1837 C5H7N (Z)-2-Pentenenitrile c25899507  
1838 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1839 C5H7N Cyclobutanecarbonitrile c4426113  
1840 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1841 C5H9N Butanenitrile, 2-methyl- c18936179  
1842 C5H9N Pentanenitrile c110598  
1843 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1844 C6H10 Bicyclo[3.1.0]hexane c285585  
1845 C5H11N Cyclopentanamine cypentam  
1846 C5H11N Piperidine piper  
1847 C4H12N2 1,2-Butanediamine c4426486  
1848 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1849 Li2CO3 Lithium Carbonate li2co3  
1850 Na2CO3 Sodium Carbonate na2co3  
1851 C2O4-- oxalate anion c2o4  
1852 MgSO4 Magnesium Sulfate mgso4  
1853 N2O4 Dinitrogen tetroxide n2o4  
1854 C3H2O3 vinylene carbonate vica  
1855 C2H2O4 Oxalic Acid oxalic  
1856 C2H3NO3 Oxamic acid oxamic  
1857 C4H4O2 2(5H)-Furanone furanone  
1858 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1859 C2H4N2O2 Oxalamide oxalamide  
1860 C2H4N2S2 Ethanedithioamide c79403  
1861 C2H4CO3 Ethylene carbonate etco3  
1862 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1863 C3H4S3 1,3-Dithiolane-2-thione c822388  
1864 C2H4O4 Formic acid dimer fadimer  
1865 C4H5NO 3-Methylisoxazole isox3m  
1866 C4H5NO Isoxazole, 5-methyl- c5765446  
1867 C4H5NS 4-Methylthiazole c693958  
1868 C2H5NO3 Nitric acid, ethyl ester c625581  
1869 C5H6O 2H-Pyran pyran2  
1870 C5H6O 2-methylfuran furan2m  
1871 C5H6O 3-Methylfuran furan3m  
1872 C5H6O Pentadienal pdal  
1873 C5H6S Thiophene, 2-methyl- c554143  
1874 C5H6S Thiophene, 3-methyl- c616444  
1875 C4H6O2 γ–Butyrolactone c96480  
1876 C4H6O2 2,3-Butanedione c431038  
1877 C4H6O2 2-Propenoic acid, methyl ester c96333  
1878 C4H6O2 Crotonic Acid crot  
1879 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1880 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1881 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1882 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1883 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1884 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1885 C4H6OS Vinyl sulfoxide c1115157  
1886 CH6N4S Carbonothioic dihydrazide thiacarb  
1887 C2H6N2O2 (E)-Azodioxymethane c37765154  
1888 C2H6N2O2 Dimethylnitroamine c4164287  
1889 C3H6O3 1,3,5-Trioxane trioxane  
1890 C3H6S3 1,3,5-Trithiane c3h6s3  
1891 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1892 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1893 C4H7NO 2-Pyrrolidinone c616455  
1894 C4H7NO Ethoxyacetonitrile etoaccn  
1895 C4H7NO Methacrylamide c79390  
1896 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1897 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1898 C3H7ONO Propyl nitrite prono  
1899 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1900 CH3CH(NH2)COOH Alanine alanine  
1901 CH3NHCH2COOH Sarcosine sarcosine  
1902 NH2CH2CH2COOH β–alanine betaalanine  
1903 NH2COOC2H5 Urethane urethane  
1904 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1905 C5H8O Cyclopentanone c120923  
1906 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1907 C5H8O Methyl cyclopropyl ketone c765435  
1908 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1909 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1910 NH2CONHC2H5 Urea, ethyl- c625525  
1911 C4H8O2 1,3-Dioxane dioxan13  
1912 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1913 C4H8O2 1,4-Dioxane dioxan14  
1914 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1915 C4H8O2 Ethyl acetate c141786  
1916 C4H8OS s-Ethyl thioacetate c625605  
1917 C3H8O3 1,2,3-Propanetriol glycerin  
1918 C3H8O2S (Methylsulfonyl)ethane c594434  
1919 C4H9NO Butanamide c541355  
1920 C4H9NO Propanamide, 2-methyl- c563837  
1921 C5H10O 2-Butanone, 3-methyl- c563804  
1922 C5H10O 2H-Pyran, tetrahydro- c142687  
1923 C5H10O 2-methylbutyraldehyde 2meba  
1924 C5H10O 2-Pentanone mpk  
1925 C5H10O 3-Pentanone dek  
1926 C5H10O Cyclopentanol c96413  
1927 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1928 C5H10O Pentanal pal  
1929 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1930 C5H10S 3-Ethylthio-1-propene c5296628  
1931 C5H10S Cyclopentanethiol c1679078  
1932 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1933 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1934 C4H10O2 1,1-Dimethoxyethane c534156  
1935 C4H10O2 1,3-Butanediol budiol13  
1936 C4H10O2 1,4-Butanediol budiol14  
1937 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1938 C4H10OS Diethyl sulfoxide c70291  
1939 C4H10S2 1,4-Butanedithiol budisl14  
1940 C4H11NO Diethylhydroxylamine c3710847  
1941 C5H12O 1-Butanol, 2-methyl- c137326  
1942 C5H12O 1-Butanol, 3-methyl- c123513  
1943 C5H12O 1-Pentanol pentanol1  
1944 C5H12O 2-Butanol, 3-methyl- c598754  
1945 C5H12O 2-Pentanol peol2  
1946 C5H12O 3-Pentanol pentan3ol  
1947 C5H12O Butane, 1-methoxy- meobu  
1948 C5H12O Propane, 1-ethoxy- proet  
1949 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1950 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1951 C5H12S 1-Butanethiol, 3-methyl- c541311  
1952 C5H12S 1-Pentanethiol c110667  
1953 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1954 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1955 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1956 C5H12S Butane, 1-(methylthio)- c628295  
1957 C5H12S Ethyl propyl sulfide c4110503  
1958 C5H12S Propane, 2-(ethylthio)- c5145993  
1959 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1960 C4F2 difluorobutadiyne c4f2  
1961 ClCOClCO Oxalyl chloride oxcl  
1962 CF3CN Acetonitrile, trifluoro- cf3cn  
1963 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1964 B2F4 Diboron tetrafluoride b2f4  
1965 B2Cl4 Diboron tetrachloride b2cl4  
1966 C2F4 Tetrafluoroethylene c2f4  
1967 C2F4+ Tetrafluoroethylene cation c2f4+  
1968 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1969 CF2CCl2 difluorodichloroethylene cf2ccl2  
1970 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1971 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1972 C2FCl3 fluorotrichloroethene c2fcl3  
1973 C2Cl4 Tetrachloroethylene c2cl4  
1974 C2Br4 tetrabromoethene c2br4  
1975 CF3OF Trifluoromethylhypofluorite cf3of  
1976 SiF5- silicon pentafluoride anion sif5-  
1977 SOF4 Sulfur tetrafluoride oxide sof4  
1978 PF5 Phosphorus pentafluoride pf5  
1979 AsF5 Arsenic pentafluoride asf5  
1980 PCl5 Phosphorus pentachloride pcl5  
1981 SF5 Sulfur pentafluoride sf5  
1982 SF5+ pentafluoro sulfur cation sf5+  
1983 SbCl5 Antimony pentachloride sbcl5  
1984 BrF5 bromine pentafluoride brf5  
1985 ClF5 chlorinepentafluoride clf5  
1986 IF5 pentafluoroiodine if5  
1987 CF3CHO trifluoroacetaldehyde cf3cho  
1988 CCl3CHO trichloroacetaldehyde ccl3cho  
1989 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1990 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1991 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1992 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1993 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1994 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1995 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1996 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1997 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1998 CF3COOH trifluoroacetic acid cf3cooh  
1999 C4H3ClO Furan, 2-chloro fur2cl  
2000 C4H3ClO Furan,3-chloro fur3cl  
2001 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
2002 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
2003 C4H8Cl2 1,4-Dichlorobutane c110565  
2004 C4H8Cl2 Butane, 1,2-dichloro- c616217  
2005 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
2006 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
2007 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
2008 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
2009 C5H11Cl Pentane, 1-chloro- pencl1  
2010 C4H8O2 Butanoic acid bua  
2011 C6H5CH2 benzyl radical benzyl  
2012 C7H7 cycloheptatrienyl radical c7h7  
2013 C7H7+ cycloheptatrienyl cation c7h7+  
2014 C6H5CH3 toluene toluene  
2015 C7H8 cycloheptatriene cht  
2016 C7H8 Norbornadiene norbor  
2017 C7H8 Quadricyclane qucy  
2018 C7H12 Norbornane nor  
2019 C7H14 cycloheptane c7h14  
2020 C7H16 2-methylhexane 2mhex  
2021 C7H16 3-methylhexane hex3m  
2022 C7H16 heptane heptane  
2023 CH(CN)3 tricyanomethane mecn3  
2024 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
2025 C6H7N 2-Methylpyridine mp  
2026 C6H5NH2 aniline aniline  
2027 C6H13N 2-Methylpiperidine pip2m  
2028 C6H13N cyclohexanamine cham  
2029 C6H15N triethylamine tea  
2030 N2O5 Dinitrogen pentoxide n2o5  
2031 C4H2O3 Maleic Anhydride malan  
2032 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
2033 C5H4O2 furfural furfural  
2034 C6H5O phenoxy radical phenoxy  
2035 C5H5NO 2(1H)-Pyridinone c72762006  
2036 C5H5NO 2(3H)-Pyridinone c9000048  
2037 C5H5NO 2(5H)-Pyridinone c9000037  
2038 C5H5NO 2-Pyridinol c109104  
2039 C5H5NO 3(2H)-Pyridinone c9000004  
2040 C5H5NO 3(4H)-Pyridinone c9000026  
2041 C5H5NO 3(6H)-Pyridinone c9000015  
2042 C5H5NO 3-Pyridinol c109002  
2043 C5H5NO 4(1H)-Pryidinone c9000060  
2044 C5H5NO 4(3H)-Pryidinone c9000059  
2045 C5H5NO 4-Pyridinol c626642  
2046 C6H5OH phenol phenol  
2047 C6H6O 2,4-Cyclohexadienone c24599573  
2048 C6H6O 2,5-Cyclohexadienone c5664335  
2049 C6H5SH Benzenethiol phsh  
2050 HO2CCHNH2CH2OH Serine serine  
2051 C5H8O2 Acetylacetone acac  
2052 C4H8O2S Sulfolane sulfolane  
2053 C7H10 Norbornene norbornene  
2054 CH(C2H3)3 trivinyl methane tvm  
2055 C6H10O cyclohexanone chexo  
2056 C6H12O hexanal c6h12o  
2057 C6H12O Oxepane oxepane  
2058 C3H7OC3H7 di-n-propyl ether propr  
2059 F2CCCF2 tetrafluoroallene pfa  
2060 CF3COO- trifluoro acetate anion cf3coo-  
2061 CF3COF trifluoroacetyl fluoride cf3cof  
2062 CF3COCl trifluoroacetyl chloride cf3cocl  
2063 PF6 Hexafluorophosphate neutral pf6  
2064 PF6- Hexafluorophosphate ion pf6-  
2065 SF6 Sulfur Hexafluoride sf6  
2066 SeF6 Selenium hexafluoride sef6  
2067 SF5Cl sulfur chloropentafluoride sf5cl  
2068 CF3CHF2 pentafluoroethane cf3chf2  
2069 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2070 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2071 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2072 CCl3CHCl2 pentachloroethane ccl3chcl2  
2073 C6H5F Fluorobenzene bzf  
2074 C6H5Cl chlorobenzene bzcl  
2075 C6H5Br bromobenzene bzbr  
2076 C8H6 Calicene calicene  
2077 C6H5CCH phenylacetylene phac  
2078 C8H6 benzocyclobutadiene bcbd  
2079 C8H6 Pentalene pentalene  
2080 C6H5CHCH2 Styrene styrene  
2081 C8H8 cubane cubane  
2082 C8H8 cyclooctatetraene cot  
2083 C6H5CH2CH3 Ethylbenzene etbz  
2084 CH3C6H4CH3 meta-xylene mxylene  
2085 CH3C6H4CH3 paraxylene pxylene  
2086 C8H14 Bicyclo[2.2.2]octane bico222  
2087 C8H16 cyclooctane cyclooct  
2088 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2089 C8H18 Octane c8h18  
2090 C6H5CN phenyl cyanide phcn  
2091 C6H12N2 Triethylenediamine ted  
2092 C4O4-- squarate dianion c4o4--  
2093 S4N4 Tetrasulfur tetranitride s4n4  
2094 S8 Octasulfur s8  
2095 C6H4O2 parabenzoquinone pbq  
2096 C4H4N2O2 Uracil uracil  
2097 C6H5CHO benzaldehyde benzal  
2098 C6H5OCH3 Anisole anisole  
2099 C5H9NO2 Proline proline  
2100 C6H12O2 Methyl pivalate c598981  
2101 C6H12O2 Hexanoic acid hexa  
2102 C4F4 tetrafluorcyclobutadiene c4f4  
2103 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2104 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2105 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2106 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2107 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2108 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2109 C2F6 hexafluoroethane c2f6  
2110 C2Cl6 hexachloroethane c2cl6  
2111 IF7 Iodine heptafluoride if7  
2112 C6H4F2 metadifluorobenzene mdfb  
2113 C6H4F2 orthodifluorobenzene odfb  
2114 C6H4F2 1,4-difluorobenzene pdfb  
2115 C6H4Cl2 1,2-dichlorobenzene dcb12  
2116 C6H4Cl2 1,3-dichlorobenzene dcb13  
2117 C6H4Cl2 1,4-dichlorobenzene dcb14  
2118 C6H5NO nitrosobenzene bzno  
2119 C9H8 Indene indene  
2120 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2121 C9H12 n-propyl benzene prbz  
2122 C9H20 Nonane nonane  
2123 C(CN)4 tetracyanomethane c5n4  
2124 C5H4N4 purine purine  
2125 C8H7N Indole indole  
2126 C3H3N3O3 cyanuric acid cyanuric  
2127 C6H5NO2 Nitrobenzene c6h5no2  
2128 C6H5COOH benzoic acid benzo  
2129 CH3COC6H5 acetophenone acph  
2130 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2131 C3F6 hexafluoropropene c3f6  
2132 C6H3F3 Benzene trifluoride 123 bzf3a  
2133 C8H18O 1-Octanol octanol  
2134 C10H8 Azulene azu  
2135 C10H8 naphthalene naph  
2136 C10H10 bullvalene bullv  
2137 C10H16 adamantane adamantane  
2138 C6N4 Tetracyanoethylene tcne  
2139 C6N4- tetracyanoethylene anion tcne-  
2140 C10H22 Decane decane  
2141 C4F6 perfluorobutadiene c4f6  
2142 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2143 C3F8 perfluoropropane c3f8  
2144 Fe(CO)5 Iron pentacarbonyl ipc  
2145 Fe(C5H5)2 ferrocene fecp2  
2146 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2147 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2148 C12H8 Acenaphthylene acenaph  
2149 C12H8 biphenylene biph  
2150 C12H10 biphenyl biphenyl  
2151 C12H10 Heptalene heptalene  
2152 C6H12O6 Inositol inositol  
2153 C6F6 hexafluorobenzene c6f6  
2154 S2F10 disulphur decafluoride s2f10  
2155 C13H10 Fluorene fluorene  
2156 C14H10 Anthracene anth  
2157 C14H10 Phenanthrene phenanthrene  
2158 C14H14 Bibenzyl bibenzyl  
2159 C12H10N2 azobenzene azobenzene  
2160 C6H5COC6H5 benzophenone benzophenone  
2161 C16H10 Pyrene pyrene  
2162 C18H12 Tetracene tetracene  
2163 C19H16 Triphenylmethane tpm  
2164 C24H12 Coronene coronene  
2165 C60 Buckminsterfullerene c60