return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Resources > Info on Results > Calculations Done > Method and basis set

List of which calculations are completed at QCISD(TQ)=FULL /daug-cc-pVDZ

Jump to calculations not yet done
count Species Name State Conformation
1 He Helium atom 1SKh
2 He Helium atom   
3 MgH magnesium monohydride 2ΣC∞v
4 Al- Aluminum atom anion 3PKh
5 C Carbon atom 3P0Kh
6 Si- Silicon atom anion 4SKh
7 CH2- methylene anion 2B1C2v
8 SiH5+ Silane, protonated   
9 N Nitrogen atom 4SKh
10 As Arsenic atomic 4SKh
11 As- Arsenic anion 3PKh
12 As+ Arsenic cation 3PKh
13 PH phosphorus monohydride 3Σ-C∞v
14 NH2 Amino radical 2B1C2v
15 PH3+ Phosphine cation 2A1C3v
16 PH4 Phosphoranyl radical   
17 OH Hydroxyl radical 2ΠC∞v
18 OH+ hydoxyl cation 3ΣC∞v
19 H2O Water 1A1C2v
20 H2O- water anion 2A1C2v
21 H2O- water anion 2A'Cs
22 HBr hydrogen bromide 1ΣC∞v
23 Ne Neon atom   
24 ArH+ Argon hydride cation 1ΣC∞v
25 HBBH Diborane(2) 3ΣGD∞h
26 B2H4 Diborane(4) D2d 1A1D2d
27 B2H6 Diborane 1AgD2h
28 B2H6+ Diborane cation   
29 SiGe Silicon Germanium   
30 C2H2+ acetylene cation 2ΠuD∞h
31 LiP Lithium monophosphide   
32 LiP Lithium monophosphide   
33 CN Cyano radical 2ΣC∞v
34 SiP Silicon monophosphide 2ΠC∞v
35 HCN Hydrogen cyanide 1ΣC∞v
36 HNC+ hydrogen isocyanide cation   
37 NNH+ Dinitrogen monohydride cation 1ΣC∞v
38 CH2NH+ Methanimine cation   
39 CO Carbon monoxide 1ΣC∞v
40 CO+ carbon monoxide cation 2ΣC∞v
41 SiSe Silicon Monoselenide   
42 NO- nitric oxide anion 3ΣC∞v
43 SO+ sulfur monoxide cation 2ΠC∞v
44 S2 Sulfur diatomic 3ΣgD∞h
45 COH Hydroxymethylidyne   
46 HNO+ Nitrosyl hydride cation 2A'Cs
47 HSO+ Sulfur Monoxide, S-protonated   
48 H2CO Formaldehyde 1A1C2v
49 H2CO+ formaldehyde cation 2B2C2v
50 F2+ flourine diatomic cation 2ΠgD∞h
51 Cl2+ chlorine diatomic cation 2ΠgD∞h
52 HCF Fluoromethylene 1A'Cs
53 HCF Fluoromethylene 3A"Cs
54 OCS Carbonyl sulfide 1ΣC∞v
55 S3 Sulfur trimer 1A1C2v
56 CF2 Difluoromethylene 1A1D∞h

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 anion he-  
14 He+ Helium atom cation he+  
15 HeH Helium hydride heh  
16 HeH+ Helium hydride cation heh+  
17 He2+ helium diatomic cation he2+  
18 Li Lithium atom li  
19 Li- Lithium atom anion li-  
20 Li+ Lithium atom cation li+  
21 Na Sodium atom na  
22 Na- Sodium atom anion na-  
23 Na+ Sodium atom cation na+  
24 K Potassium atom k  
25 K- Potassium atom anion k-  
26 K+ Potassium atom cation k+  
27 Cu Copper atom cu  
28 Cu- Copper atom anion cu-  
29 Cu+ Copper atom cation cu+  
30 LiH Lithium Hydride lih  
31 LiH- lithium hydride anion lih-  
32 LiH+ lithium hydride cation lih+  
33 NaH sodium hydride nah  
34 NaH- sodium hydride anion nah-  
35 NaH+ sodium hydride cation nah+  
36 KH Potassium hydride kh  
37 KH+ Potassium hydrogen cation kh+  
38 CuH Copper monohydride cuh  
39 Be Beryllium atom be  
40 Be- Beryllium atom anion be-  
41 Be+ Beryllium atom cation be+  
42 Mg Magnesium atom mg  
43 Mg- Magnesium atom anion mg-  
44 Mg+ Magnesium atom cation mg+  
45 Ca Calcium atom ca  
46 Ca- Calcium atom anion ca-  
47 Ca+ Calcium atom cation ca+  
48 Zn Zinc atom zn  
49 Zn- Zinc atom anion zn-  
50 Zn+ Zinc atom cation zn+  
51 BeH beryllium monohydride beh  
52 BeH- berylium monohydride anion beh-  
53 BeH+ beryllium monohydride cation beh+  
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 b  
67 B- Boron atom anion b-  
68 B+ Boron atom cation b+  
69 Al Aluminum atom al  
70 Al+ Aluminum atom cation al+  
71 Sc Scandium atom sc  
72 Sc+ Scandium cation sc+  
73 Ga Gallium atom ga  
74 Ga- Gallium atom anion ga-  
75 Ga+ Gallium atom cation ga+  
76 BH Boron monohydride bh  
77 BH- boron monohydride anion bh-  
78 BH+ boron monohydride cation bh+  
79 AlH aluminum monohydride alh  
80 AlH- aluminum monohydride anion alh-  
81 AlH+ aluminum monohydride cation alh+  
82 ScH Scandium monohydride sch  
83 ScH+ Scandium monohydride cation sch+  
84 GaH Gallium monohydride gah  
85 GaH+ Gallium monohydride cation gah+  
86 BH2 boron dihydride bh2  
87 BH2- boron dihydride anion bh2-  
88 BH2+ Boron dihydride cation bh2+  
89 AlH2 aluminum dihydride alh2  
90 AlH2- aluminum dihydride anion alh2-  
91 AlH2+ aluminum dihydride cation alh2+  
92 BH3 boron trihydride bh3  
93 BH3- boron trihydride anion bh3-  
94 BH3+ boron trihydride cation bh3+  
95 AlH3 aluminum trihydride alh3  
96 AlH3- aluminum trihydride anion alh3-  
97 AlH3+ aluminum trihydride cation alh3+  
98 ScH3 Scandium trihydride sch3  
99 GaH3 Gallium trihydride gah3  
100 BH4 borohydride bh4  
101 BH4- borohydride anion bh4-  
102 AlH4- Aluminum tetrahydride anion alh4-  
103 C- Carbon atom anion c-  
104 C+ Carbon atom cation c+  
105 Si Silicon atom si  
106 Si+ Silicon atom cation si+  
107 Ti Titanium atom ti  
108 Ti- Titanium atom anion ti-  
109 Ti+ Titanium atom cation ti+  
110 Ge Germanium atom ge  
111 Ge- Germanium anion ge-  
112 Ge+ Germanium cation ge+  
113 Sn Tin atom sn  
114 Sn+ Tin cation sn+  
115 CH Methylidyne ch  
116 CH- methylidyne anion ch-  
117 CH+ Methylidyne cation ch+  
118 SiH Silylidyne sih  
119 SiH- silicon monohydride anion sih-  
120 SiH+ silicon monohydride cation sih+  
121 GeH germylidene geh  
122 GeH+ Germaniun monohyrdide cation geh+  
123 CH2 Methylene 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 N- Nitrogen atom anion n-  
151 N+ Nitrogen atom cation n+  
152 P Phosphorus atom p  
153 P- Phosphorus atom anion p-  
154 P+ Phosphorus atom cation p+  
155 V Vanadium atom v  
156 V+ Vanadium atom cation v+  
157 Sb Antimony atom sb  
158 NH Imidogen nh  
159 NH- Imidogen anion nh-  
160 NH+ imidogen cation nh+  
161 PH- phosphorus monohydride anion ph-  
162 PH+ phosphorus monohydride cation ph+  
163 AsH Arsenic monohydride ash  
164 AsH+ Arsenic monohydride cation ash+  
165 SbH Antimony monohydride sbh  
166 ND2 Amidogen-d2 nd2  
167 NH2- amino anion nh2-  
168 NH2+ Amino cation nh2+  
169 PH2 Phosphino radical ph2  
170 PH2- Phosphino anion ph2-  
171 PH2+ Phosphino cation ph2+  
172 AsH2 Arsenic dihydride ash2  
173 AsH2+ Arsenic dihydride cation ash2+  
174 ND3 Ammonia-d3 nd3  
175 NH3 Ammonia nh3  
176 NH3- Ammonia anion nh3-  
177 NH3+ ammonia cation nh3+  
178 PH3 Phosphine ph3  
179 AsH3 Arsine ash3  
180 AsH3+ Arsine cation ash3+  
181 SbH3 Stibine sbh3  
182 AsH4+ Arsonium ash4+  
183 NH4 Ammonium radical nh4  
184 NH4+ ammonium cation nh4+  
185 PH4+ phosphonium cation ph4+  
186 O Oxygen atom o  
187 O- Oxygen atom anion o-  
188 O+ Oxygen atom cation o+  
189 S Sulfur atom s  
190 S- Sulfur atom anion s-  
191 S+ Sulfur atom cation s+  
192 Cr Chromium atom cr  
193 Se Selenium atom se  
194 Se- Selenium atom anion se-  
195 Se+ Selenium atom cation se+  
196 Te Tellurium atom te  
197 Te+ Tellurium atom cation te+  
198 DO Hydroxyl-d od  
199 OH- hydroxide anion oh-  
200 DS Mercapto-d ds  
201 HS Mercapto radical hs  
202 HS- mercapto anion sh-  
203 HS+ sulfur monohydride cation sh+  
204 CrH Chromium hydride crh  
205 CrH+ Chromium hydride cation crh+  
206 HSe Selenium monohydride hse  
207 HSe- selenium monohydride anion hse-  
208 HSe+ selenium monohydride cation hse+  
209 TeH Telluryl radical teh  
210 D2O Deuterium oxide d2o  
211 H2O+ water cation h2o+  
212 HDO Water-d1 hdo  
213 D2S Hydrogen sulfide-d2 d2s  
214 H2S Hydrogen sulfide h2s  
215 H2S- Hydrogen sulfide anion h2s-  
216 H2S+ Hydrogen sulfide cation h2s+  
217 H2Se Hydrogen selenide h2se  
218 H2Se+ Hydrogen selenide cation h2se+  
219 H2Te Hydrogen Telluride h2te  
220 H3O+ hydronium cation h3o+  
221 H3S+ Sulfonium cation h3s+  
222 H3Se+ Hydrogen Selenide, protonated h3se+  
223 F Fluorine atom f  
224 F- Fluorine atom anion f-  
225 F+ Fluorine atom cation f+  
226 Cl Chlorine atom cl  
227 Cl- Chlorine atom anion cl-  
228 Cl+ Chlorine atom cation cl+  
229 Mn Manganese atom mn  
230 Br Bromine atom br  
231 Br- Bromine atom anion br-  
232 Br+ Bromine atom cation br+  
233 I Iodine atom iodine  
234 I- Iodine atom anion iodine-  
235 I+ Iodine atom cation iodine+  
236 DF Hydrofluoric acid-d df  
237 HF Hydrogen fluoride hf  
238 HF- hydrogen fluoride anion hf-  
239 HF+ hydrogen fluoride cation hf+  
240 DCl Hydrochloric acid-d dcl  
241 HCl Hydrogen chloride hcl  
242 HCl- hydrogen chloride anion hcl-  
243 HCl+ hydrogen chloride cation hcl+  
244 HBr- hydrogen bromide anion hbr-  
245 HBr+ hydrogen bromide cation hbr+  
246 HI Hydrogen iodide hi  
247 HI+ Hydrogen iodide cation hi+  
248 H2F+ dihydrogen fluoride cation h2f+  
249 H2Cl+ dihydrogen monochloride cation h2cl+  
250 H2Br+ protonated hydrogen bromide h2br+  
251 H2I+ Iodonium h2i+  
252 Ne Neon atom ne  
253 Ne- Neon atom anion ne-  
254 Ne+ Neon atom cation ne+  
255 Ar Argon atom ar  
256 Ar- Argon atom anion ar-  
257 Ar+ Argon atom cation ar+  
258 Fe Iron atom fe  
259 Kr Krypton atom kr  
260 Kr+ Krypton cation kr+  
261 Xe Xenon atom xe  
262 HeLi+ Helium Lithium cation heli+  
263 NeH neon hydrogen neh  
264 NeH+ neon hydrogen cation neh+  
265 KrH+ Protonated Krypton krh+  
266 XeH+ Xenon, protonated xeh+  
267 H2Ar H2 Ar dimer h2ar  
268 Co Cobalt atom cobalt  
269 Ni Nickel atom ni  
270 Li2 Lithium diatomic li2  
271 Li2- lithium diatomic anion li2-  
272 Li2+ lithium diatomic cation li2+  
273 NaLi lithium sodium lina  
274 NaLi- lithium sodium anion lina-  
275 NaLi+ lithium sodium cation lina+  
276 LiK Lithium Potassium lik  
277 Na2 Sodium diatomic na2  
278 Na2- sodium diatomic anion na2-  
279 Na2+ sodium diatomic cation na2+  
280 NaK Sodium Potassium nak  
281 NaK+ Sodium Potassium diatomic cation nak+  
282 K2 Potassium diatomic k2  
283 Cu2 Copper diatomic cu2  
284 LiBe Lithium Beryllium libe  
285 LiMg Lithium magnesium limg  
286 NaBe Sodium Beryllium nabe  
287 NaMg Sodium Magnesium namg  
288 Be2 Beryllium diatomic be2  
289 Be2- Beryllium diatomic anion be2-  
290 Be2+ Beryllium diatomic cation be2+  
291 BeMg Beryllium Magnesium bemg  
292 Mg2 Magnesium diatomic mg2  
293 Mg2- magnesium diatomic anion mg2-  
294 Mg2+ magnesium diatomic cation mg2+  
295 Ca2 Calcium diatomic ca2  
296 LiB Lithium boride lib  
297 LiAl Lithium Aluminum lial  
298 NaAl Sodium aluminum naal  
299 BeB Beryllium monoboride beb  
300 B2 Boron diatomic b2  
301 B2- Boron diatomic anion b2-  
302 B2+ Boron diatomic cation b2+  
303 BAl Boron Aluminum bal  
304 Al2 Aluminum diatomic al2  
305 Al2- aluminum diatomic anion al2-  
306 Al2+ aluminum diatomic cation al2+  
307 BGa Boron Gallium bga  
308 AlGa Aluminum Gallium alga  
309 Ga2 Gallium diatomic ga2  
310 LiBH4 Lithium borohydride libh4  
311 HBHHBH Diborane(4) C2V hbhhbh  
312 Al2H6 dialane al2h6  
313 Ga2H6 digallane ga2h6  
314 LiC Lithium Carbide lic  
315 BeC Beryllium Carbide bec  
316 CaC Calcium monocarbide cac  
317 BC boron monocarbide bc  
318 BC- boron monocarbide anion bc-  
319 BC+ boron monocarbide cation bc+  
320 AlC Aluminum carbide alc  
321 BSi Boron silicide bsi  
322 C2 Carbon diatomic c2  
323 C2- carbon diatomic anion c2-  
324 C2+ carbon diatomic cation c2+  
325 SiC silicon monocarbide sic  
326 SiC- silicon monocarbide anion sic-  
327 SiC+ silicon monocarbide cation sic+  
328 Si2 Silicon diatomic si2  
329 Si2- silcon diatomic anion si2-  
330 Si2+ silcon diatomic cation si2+  
331 GeC Germanium monocarbide gec  
332 Ge2 Germanium diatomic ge2  
333 C2H Ethynyl radical c2h  
334 C2H- Ethynyl anion c2h-  
335 C2H+ Ethynyl cation c2h+  
336 ZnCH2 Zinc methylene znch2  
337 C2H2 Acetylene c2h2  
338 CCH2 vinylidene vinylidene  
339 H2CC- vinylidene anion h2cc-  
340 HCCH- acetylene anion c2h2-  
341 Si2H2 disilyne si2h2  
342 CH3Li methyl lithium ch3li  
343 CuCH3 monomethyl copper cuch3  
344 ZnCH3 Zinc monomethyl znch3  
345 CH2BH methyleneborane ch2bh  
346 C2H3 vinyl c2h3  
347 C2H3- vinyl anion c2h3-  
348 C2H3+ vinyl cation c2h3+  
349 C2H4 Ethylene c2h4  
350 C2H4- Ethylene anion c2h4-  
351 C2H4+ Ethylene cation c2h4+  
352 CH3CH methylmethylene ch3ch  
353 CH2SiH2 silaethylene ch2sih2  
354 Si2H4 Disilene si2h4  
355 CH3BH2 methylborane ch3bh2  
356 C2H5 Ethyl radical c2h5  
357 C2H5- Ethyl anion c2h5-  
358 C2H5+ Ethyl cation c2h5+  
359 C2H6 Ethane c2h6  
360 C2H6+ ethane cation c2h6+  
361 CH3SiH3 methyl silane ch3sih3  
362 Si2H6 disilane si2h6  
363 GeH3CH3 methyl germane geh3ch3  
364 C2H7+ Ethane, protonated c2h7+  
365 LiN Lithium Nitride lin  
366 LiN+ Lithium Nitride cation lin+  
367 BeN Beryllium mononitride ben  
368 BeN- Beryllium mononitride anion ben-  
369 BeN+ Beryllium mononitride cation ben+  
370 MgN Magnesium Nitride mgn  
371 BN- boron nitride anion bn-  
372 AlN- aluminum mononitride anion aln-  
373 AlN+ aluminum mononitride cation aln+  
374 BP Boron monophosphide bp  
375 AlP Aluminum monophosphide alp  
376 GaN Gallium mononitride gan  
377 GaP Gallium monophosphide gap  
378 GaAs Gallium arsenide gaas  
379 BN boron nitride bn  
380 BN+ boron nitride cation bn+  
381 AlN Aluminum nitride aln  
382 CN- cyanide anion cn-  
383 CN+ Cyano cation cn+  
384 CP Carbon monophosphide cp  
385 CP- carbon monophosphide anion cp-  
386 CP+ carbon monophosphide cation cp+  
387 SiN Silicon nitride sin  
388 SiN- silicon mononitride anion sin-  
389 SiN+ silicon mononitride cation sin+  
390 SiP- Silicon monophosphide anion sip-  
391 SiP+ Silicon monophosphide cation sip+  
392 TiN Titanium mononitride tin  
393 N2 Nitrogen diatomic n2  
394 N2- nitrogen diatomic anion n2-  
395 N2+ diatomic nitrogen cation n2+  
396 PN Phosphorus mononitride pn  
397 PN- phosphorus nitride anion pn-  
398 PN+ phosphorus nitride cation pn+  
399 P2 Phosphorus diatomic p2  
400 P2- phosphorus diatomic anion p2-  
401 P2+ phosphorus diatomic cation p2+  
402 AsN Arsenic mononitride asn  
403 AsP Arsenic monophosphide asp  
404 SbN Antimony nitride sbn  
405 As2 Arsenic diatomic as2  
406 HNB hydrogen nitrogen boron hnb  
407 HNC hydrogen isocyanide hnc  
408 HCN- Hydrogen cyanide anion hcn-  
409 HCN+ hydrogen cyanide cation hcn+  
410 HCP Phosphaethyne hcp  
411 HCP+ Phosphaethyne cation hcp+  
412 NNH Dinitrogen monohydride nnh  
413 HPO Hydrogen phosphorus oxide hpo  
414 HPO+ Hydrogen phosphorus oxide cation hpo+  
415 LiNH2 lithium amide linh2  
416 HBNH Boranimine hbnh  
417 CNH2 Aminomethylidyne radical cnh2  
418 CNH2+ N-protonated hydrogen isocyanide cnh2+  
419 H2CN Dihydrogen cyanide radical h2cn  
420 H2CN+ hydrocyanonium cation h2cn+  
421 HCNH methyleneazane hcnh  
422 HCNH+ N-protonated HCN hcnh+  
423 H2NN Isodiazene h2nn  
424 N2H2 (E)-diazene n2h2  
425 N2H2 (Z)-Diazene n2h2z  
426 N2H2+ trans-diazene cation n2h2+  
427 CH2NH Methanimine ch3n  
428 CHNH2 aminomethylene chnh2  
429 CHNH2+ Aminocarbene cation chnh2+  
430 CH2PH Phosphaethene ch3p  
431 BH2NH2 Boranamine bh2nh2  
432 CH2NH2+ methyleneamine cation ch2nh2+  
433 N2H4 Hydrazine n2h4  
434 N2H4+ hydrazine cation n2h4+  
435 P2H4 Diphosphine p2h4  
436 CH3NH2 methyl amine ch3nh2  
437 CH3NH2+ methyl amine cation ch3nh2+  
438 CH3PH2 Methyl phosphine ch3ph2  
439 SiH3NH2 Silane, amino sih3nh2  
440 N2H5+ protonated hydrazine n2h5+  
441 BH3PH3 borane phosphine bh3ph3  
442 BH3NH3 borane ammonia bh3nh3  
443 CH3NH3 methyl ammonium radical ch3nh3  
444 CH3NH3+ protonated methylamine ch3nh3+  
445 CH3PH3+ methyl phosphine, protonated ch3ph3+  
446 NH3NH3 Ammonia Dimer nh3nh3  
447 N2H7+ ammonia ammonium dimer n2h7+  
448 LiO lithium oxide lio  
449 LiO- lithium oxide anion lio-  
450 LiO+ lithium oxide cation lio+  
451 LiS Lithium monosulfide lis  
452 LiS+ Lithium sulfide cation lis+  
453 NaO sodium monoxide nao  
454 NaO- sodium oxide anion nao-  
455 NaO+ sodium oxide cation nao+  
456 KO Potassium monoxide ko  
457 KO+ Potassium monoxide cation ko+  
458 NaS Sodium sulfide nas  
459 CuO Copper Monoxide cuo  
460 LiSe Lithium monoselenide lise  
461 BeO beryllium oxide beo  
462 BeO- Beryllium monoxide anion beo-  
463 BeO+ Beryllium monoxide cation beo+  
464 BeS beryllium sulfide bes  
465 MgO magnesium oxide mgo  
466 MgO- magnesium oxide anion mgo-  
467 MgO+ magnesium oxide cation mgo+  
468 CaO Calcium monoxide cao  
469 MgS magnesium sulfide mgs  
470 MgS- magnesium sulfide anion mgs-  
471 MgS+ magnesium sulfide cation mgs+  
472 CaS Calcium sulfide cas  
473 ZnO zinc monoxide zno  
474 ZnS Zinc sulfide zns  
475 BeS- Beryllium monosulfide anion bes-  
476 BeS+ Beryllium monosulfide cation bes+  
477 BO boron monoxide bo  
478 BO- boron monoxide anion bo-  
479 AlO Aluminum monoxide alo  
480 AlO- Aluminum monoxide anion alo-  
481 AlO+ aluminum monoxide cation alo+  
482 BS boron sulfide bs  
483 BS- boron monosulfide anion bs-  
484 BS+ boron monosulfide cation bs+  
485 AlS Aluminum sulfide als  
486 AlS- aluminum monosulfide anion als-  
487 AlS+ aluminum monosulfide cation als+  
488 ScO Scandium monoxide sco  
489 GaO Gallium monoxide gao  
490 GaS Gallium monosulfide gas  
491 BO+ boron monoxide cation bo+  
492 CO- carbon monoxide anion co-  
493 CS carbon monosulfide cs  
494 CS- carbon monosulfide anion cs-  
495 CS+ carbon monosulfide cation cs+  
496 SiO Silicon monoxide sio  
497 SiO- silicon monoxide anion sio-  
498 SiO+ silicon monoxide cation sio+  
499 SiS silicon monosulfide sis  
500 SiS- silicon monosulfide anion sis-  
501 SiS+ silicon monosulfide cation sis+  
502 TiO Titanium monoxide tio  
503 CSe Carbon monoselenide cse  
504 CSe- Carbon monoselenide anion cse-  
505 CSe+ Carbon monoselenide cation cse+  
506 GeO Germanium monoxide geo  
507 GeO+ Germanium monoxide cation geo+  
508 GeS Germanium monosulfide ges  
509 SiSe+ Silicon Monoselenide cation sise+  
510 GeSe Germanium monoselenide gese  
511 NO Nitric oxide no  
512 NO+ nitric oxide cation no+  
513 NS Mononitrogen monosulfide ns  
514 NS- nitrogen sulfide anion ns-  
515 NS+ nitrogen sulfide cation ns+  
516 PO Phosphorus monoxide po  
517 PO- phosphorus monoxide anion po-  
518 PO+ phosphorus monoxide cation po+  
519 PS phosphorus sulfide ps  
520 PS- phosphorus monosulfide anion ps-  
521 PS+ phosphorus monosulfide cation ps+  
522 VO Vanadium monoxide vo  
523 AsO Arsenic monoxide aso  
524 NSe Nitrogen monoselenide nse  
525 AsS Arsenic monosulfide ass  
526 PSe Phosphorus monoselenide pse  
527 AsSe Arsenic monoselenide asse  
528 O2 Oxygen diatomic o2  
529 O2- oxygen diatomic anion o2-  
530 O2-- dioxygen dianion o2--  
531 O2+ diatomic oxygen cation o2+  
532 SO Sulfur monoxide so  
533 SO- sulfur monoxide anion so-  
534 S2- sulfur diatomic anion s2-  
535 S2+ sulfur diatomic cation s2+  
536 SeO Selenium monoxide seo  
537 SeO- selenium monoxide anion seo-  
538 SeO+ selenium monoxide cation seo+  
539 SeS Selenium monosulfide ses  
540 SeS- selenium monosulfide anion ses-  
541 SeS+ selenium monosulfide cation ses+  
542 TeO Tellurium monoxide teo  
543 Se2 Selenium diatomic se2  
544 Se2- selenium diatomic anion se2-  
545 Se2+ selenium diatomic cation se2+  
546 Te2 Tellurium diatomic te2  
547 LiOH lithium hydroxide lioh  
548 NaOH sodium hydroxide naoh  
549 KOH Potassium hydroxide koh  
550 BeOH beryllium monohydroxide beoh  
551 MgOH magnesium hydroxide mgoh  
552 CaOH Calcium monohydroxide caoh  
553 HBO Boron hydride oxide hbo  
554 HBS hydrogen boron sulfide hbs  
555 COH+ Carbon Monoxide, protonated coh+  
556 HCO Formyl radical hco  
557 HCO- formyl anion hco-  
558 HCO+ Formyl cation hco+  
559 HCS Thioformyl radical hcs  
560 HCS- Thioformyl anion hcs-  
561 HCS+ Thioformyl cation hcs+  
562 HNO Nitrosyl hydride hno  
563 HNO- Nitrosyl hydride anion hno-  
564 NOH Hydroxyimidogen noh  
565 NOH+ O-protonated nitric oxide noh+  
566 HNS Sulfur imide hns  
567 HNS- Sulfur imide anion hns-  
568 HO2 Hydroperoxy radical ho2  
569 HO2- Hydroperoxy anion ho2-  
570 HO2+ Hydroperoxy cation ho2+  
571 SOH Sulfur Hydroxide soh  
572 SOH+ Sulfur Monoxide, protonated soh+  
573 HS2 Thiosulfeno radical hs2  
574 HOCH hydroxycarbene hoch  
575 H2CS Thioformaldehyde h2cs  
576 H2CS- thioformaldehyde anion h2cs-  
577 H2CS+ thioformaldehyde cation h2cs+  
578 H2CSe Selenoformaldehyde h2cse  
579 H2NO nitroxide h2no  
580 H2O2 Hydrogen peroxide h2o2  
581 H2O2+ Hydrogen peroxide cation h2o2+  
582 H2OO water oxide h2oo  
583 HOSH hydrogen thioperoxide hosh  
584 H2S2 Disulfane h2s2  
585 H2S2+ hydrogen disulfide cation h2s2+  
586 H2Se2 hydrogen diselenide h2se2  
587 CH2OH Hydroxymethyl radical ch2oh  
588 CH2OH+ hydroxymethyl cation ch2oh+  
589 CH3O Methoxy radical ch3o  
590 CH3O- methoxy anion ch3o-  
591 CH3O+ Methoxy cation ch3o+  
592 CH3S thiomethoxy ch3s  
593 H2CSH+ Thioformaldehyde, protonated h2csh+  
594 NH2OH hydroxylamine nh2oh  
595 NH2OH+ Hydroxylamine cation nh2oh+  
596 NH3O Ammonia Oxide nh3o  
597 H2POH Phosphinous acid h2poh  
598 H3PO Phosphine oxide h3po  
599 NH2SH Thiohydroxylamine nh2sh  
600 NH3S sulfidoazane nh3s  
601 H3O2+ hydrogen peroxide, protonated h3o2+  
602 CH3OH Methyl alcohol ch3oh  
603 CH3OH- Methyl alcohol anion ch3oh-  
604 CH3OH+ Methyl alcohol cation ch3oh+  
605 CH3SH Methanethiol ch3sh  
606 CH3SH+ Methanethiol cation ch3sh+  
607 SiH3OH silanol sih3oh  
608 CH3SeH Methane selenol ch3seh  
609 NH2OH2+ protonated hydroxylamine nh2oh2+  
610 NH3OH+ N-protonated hydroxylamine nh3oh+  
611 H2OH2O water dimer h2oh2o  
612 CH3OH2+ Methanol, protonated ch3oh2+  
613 CH3SH2+ protonated methylsulfide ch3sh2+  
614 H2ONH3 Water Ammonia Dimer h2onh3  
615 H5O2+ Dihydroxonium ion h5o2+  
616 LiF lithium fluoride lif  
617 LiCl lithium chloride licl  
618 LiCl- lithium chloride anion licl-  
619 LiCl+ lithium chloride cation licl+  
620 NaF sodium fluoride naf  
621 NaF- sodium fluoride anion naf-  
622 NaF+ sodium fluoride cation naf+  
623 KF Potassium Fluoride kf  
624 NaCl Sodium Chloride nacl  
625 NaCl- sodium chloride anion nacl-  
626 NaCl+ sodium chloride cation nacl+  
627 KCl Potassium Chloride kcl  
628 CuF Copper monofluoride cuf  
629 LiBr Lithium Bromide libr  
630 LiBr- lithium bromide anion libr-  
631 LiBr+ lithium bromide cation libr+  
632 CuCl Copper monochloride cucl  
633 NaBr Sodium Bromide nabr  
634 NaBr- sodium bromide anion nabr-  
635 NaBr+ sodium bromide cation nabr+  
636 KBr Potassium Bromide kbr  
637 LiI Lithium Iodide lii  
638 NaI Sodium Iodide nai  
639 KI Potassium Iodide ki  
640 LiF- lithium fluoride anion lif-  
641 LiF+ lithium fluoride cation lif+  
642 BeF Beryllium monofluoride bef  
643 BeF- Beryllium monofluoride anion bef-  
644 BeF+ Beryllium monofluoride cation bef+  
645 BeCl beryllium monochloride becl  
646 MgF Magnesium monofluoride mgf  
647 MgF- magnesium fluoride anion mgf-  
648 MgF+ magnesium fluoride cation mgf+  
649 CaF Calcium monofluoride caf  
650 MgCl magnesium monochloride mgcl  
651 MgCl- magnesium monochloride anion mgcl-  
652 MgCl+ magnesium monochloride cation mgcl+  
653 CaCl calcium monochloride cacl  
654 TiCl Titanium Monochloride ticl  
655 ZnF Zinc monofluoride znf  
656 ZnF- Zinc monofluoride anion znf-  
657 ZnF+ Zinc monofluoride cation znf+  
658 ZnCl Zinc monochloride zncl  
659 CaBr Calcium monobromide cabr  
660 BeCl- beryllium monochloride anion becl-  
661 BeCl+ beryllium monochloride cation becl+  
662 BF Boron monofluoride bf  
663 BF- Boron monofluoride anion bf-  
664 BF+ Boron monofluoride cation bf+  
665 AlF Aluminum monofluoride alf  
666 AlF- Aluminum monofluoride anion alf-  
667 AlF+ Aluminum monofluoride cation alf+  
668 BCl boron monochloride bcl  
669 BCl- boron monochloride anion bcl-  
670 BCl+ boron monochloride cation bcl+  
671 AlCl Aluminum monochloride alcl  
672 AlCl- aluminum monochloride anion alcl-  
673 AlCl+ aluminum monochloride cation alcl+  
674 ScF Scandium monofluoride scf  
675 BBr Boron monobromide bbr  
676 GaF Gallium monofluoride gaf  
677 GaF+ Gallium monofluoride cation gaf+  
678 AlBr Aluminum monobromide albr  
679 GaCl Gallium monochloride gacl  
680 GaCl+ Gallium monochloride cation gacl+  
681 AlI Aluminum monoiodide ali  
682 GaBr Gallium monobromide gabr  
683 CF Fluoromethylidyne cf  
684 CF- carbon monofluoride anion cf-  
685 CF+ carbon monofluoride cation cf+  
686 CCl carbon monochloride ccl  
687 CCl- carbon monochloride anion ccl-  
688 CCl+ carbon monochloride cation ccl+  
689 SiF silicon monofluoride sif  
690 SiF- silicon monofluoride anion sif-  
691 SiF+ silicon monofluoride cation sif+  
692 SiCl Clorosilylidyne sicl  
693 SiCl- silicon monochloride anion sicl-  
694 SiCl+ silicon monochloride cation sicl+  
695 CBr Carbon monobromide cbr  
696 GeF Germanium monofluoride gef  
697 GeF+ Germanium monofluoride cation gef+  
698 GeCl Germanium monochloride gecl  
699 GeCl+ Germanium monochloride cation gecl+  
700 SiBr Silicon monobromide sibr  
701 SiBr+ Silicon monobromide cation sibr+  
702 NF nitrogen fluoride nf  
703 NF- nitrogen monofluorine anion nf-  
704 NF+ nitrogen monofluoirde cation nf+  
705 NCl nitrogen monochloride ncl  
706 NCl- nitrogen monochloride anion ncl-  
707 NCl+ nitrogen monochloride cation ncl+  
708 PF phosphorus monofluoride pf  
709 PF- phosphorus monofluoride anion pf-  
710 PF+ phosphorus monofluoride cation pf+  
711 PCl phosphorus chloride pcl  
712 PCl- phosphorus monochloride anion pcl-  
713 PCl+ phosphorus monochloride cation pcl+  
714 AsF Arsenic monofluoride asf  
715 NBr nitrogen monobromide nbr  
716 AsCl Arsenic monochloride ascl  
717 PBr Phosphorus monobromide pbr  
718 SbF Antimony monofluoride sbf  
719 SbCl Antimony monochloride sbcl  
720 FO Oxygen monofluoride fo  
721 FO- flourine oxide anion fo-  
722 FO+ fluorine monoxide cation fo+  
723 ClO Monochlorine monoxide clo  
724 ClO- chlorine monoxide anion clo-  
725 ClO+ chlorine monoxide cation clo+  
726 SF Monosulfur monofluoride sf  
727 SF- sulfur monofluoride anion sf-  
728 SF+ sulfur monofluoride cation sf+  
729 SCl sulfur monochloride scl  
730 SCl- sulfur monochloride anion scl-  
731 SCl+ sulfur monochloride cation scl+  
732 BrO Bromine monoxide bro  
733 BrO- Bromine monoxide anion bro-  
734 BrO+ Bromine monoxide cation bro+  
735 SeF Selenium monofluoride sef  
736 SBr Sulfur monobromide radical sbr  
737 SBr+ Sulfur monobromide cation sbr+  
738 SeCl Selenium monochloride secl  
739 IO Iodine monoxide io  
740 SeBr Selenium monobromide sebr  
741 BrCl Bromine monochloride brcl  
742 F2 Fluorine diatomic f2  
743 F2- flourine diatomic anion f2-  
744 ClF Chlorine monofluoride clf  
745 ClF- clorine monofluoride anion clf-  
746 ClF+ clorine monofluoride cation clf+  
747 Cl2 Chlorine diatomic cl2  
748 Cl2- chlorine diatomic anion cl2-  
749 BrF Bromine monofluoride brf  
750 BrF- bromine fluoride anion brf-  
751 BrF+ bromine fluoride cation brf+  
752 BrCl- bromine chloride anion brcl-  
753 BrCl+ bromine chloride cation brcl+  
754 IF Iodine monofluoride if  
755 Br2 Bromine diatomic br2  
756 Br2- bromine diatomic anion br2-  
757 Br2+ bromine diatomic cation br2+  
758 ICl Iodine monochloride icl  
759 IBr Iodine monobromide ibr  
760 I2 Iodine diatomic i2  
761 I2+ Iodine diatomic cation i2+  
762 HCCl Chloromethylene hccl  
763 HSiF fluorosilylene hsif  
764 HSiCl Chlorosilylene hsicl  
765 HSiBr monobromosilylene hsibr  
766 CHBr bromomethylene chbr  
767 HOF Hypofluorous acid hfo  
768 DOCl Hypochlorous acid-d docl  
769 HOCl hypochlorous acid hocl  
770 HOCl+ hypochlorous acid cation hocl+  
771 HOBr Hypobromous acid hobr  
772 HOBr+ Hypobromous acid cation hobr+  
773 HOI Hypoiodous acid hoi  
774 F2H+ Fluorine, protonated f2h+  
775 FHF Hydrogen difluoride fhf  
776 FHF- Hydrogen difluoride anion fhf-  
777 ClFH+ Chlorine fluoride, F-protonated clfh+  
778 FClH+ Chlorine fluoride, Cl-protonated fclh+  
779 Cl2H+ Chlorine, protonated cl2h+  
780 CH2Br bromomethyl radical ch2br  
781 CH2F fluoromethyl radical ch2f  
782 CH2F+ fluoromethyl cation ch2f+  
783 CH2Cl+ chloromethyl cation ch2cl+  
784 CH2Cl chloromethyl radical ch2cl  
785 NH2F monofluoroamine nh2f  
786 NH2Cl chloramine nh2cl  
787 H2F2 Hydrogen fluoride dimer h2f2  
788 CH3F+ methyl fluoride cation ch3f+  
789 CD3F methylfluoride-d3 cd3f  
790 CH3F Methyl fluoride ch3f  
791 CD3Cl methyl chloride d3 cd3cl  
792 CH3Cl Methyl chloride ch3cl  
793 CH3Cl+ Methyl chloride cation ch3cl+  
794 SiH3F monofluorosilane sih3f  
795 SiH3Cl chlorosilane sih3cl  
796 CH3Br methyl bromide ch3br  
797 GeH3F monofluorogermane geh3f  
798 GeH3Cl monochlorogermane geh3cl  
799 SiH3Br bromosilane sih3br  
800 CH3I methyl iodide ch3i  
801 SiH3I Silyl Iodide sih3i  
802 NH3Cl+ protonated monochloroammonia nh3cl+  
803 CH3ClH+ methyl chloride, protonated ch3clh+  
804 NH4Cl Ammonium chloride nh4cl  
805 LiNe+ Lithium Neon cation line+  
806 Ne2 Neon diatomic ne2  
807 Ne2+ Neon diatomic cation ne2+  
808 Ar2 Argon diatomic ar2  
809 Ar2+ Argon diatomic cation ar2+  
810 Li3 Lithium trimer li3  
811 Li3+ Lithium trimer cation li3+  
812 C3 carbon trimer c3  
813 C3+ carbon trimer cation c3+  
814 SiC2 Silicon dicarbide sic2  
815 C3H3 cyclopropenyl radical cpr  
816 C3H3 Propargyl radical propargyl  
817 C3H3- Propargyl anion c3h3-  
818 C3H3+ cyclopropenyl cation cpr+  
819 C3H3+ Propargyl cation c3h3+  
820 C3H4 cyclopropene cprop  
821 CH2CCH2 allene allene  
822 CH3CCH propyne propyne  
823 C3H5 Allyl radical allyl  
824 C3H5+ Allyl cation allyl+  
825 CH3CHCH 1-propenyl radical ch3chch  
826 Zn(CH3)2 dimethyl zinc dmz  
827 C3H6 Cyclopropane c3h6  
828 CH2CHCH3 Propene propene  
829 C3H7 n-Propyl radical npropyl  
830 C3H7+ cyclopropane, protonated c3h7+  
831 CH3CHCH3 Isopropyl radical isopropyl  
832 CH3CHCH3+ Isopropyl cation prop2yl+  
833 C3H8 Propane propane  
834 SiH2(CH3)2 dimethylsilane dms  
835 Si3H8 trisilane si3h8  
836 LiCN lithium cyanide licn  
837 NaCN Sodium Cyanide nacn  
838 KCN Potassium cyanide kcn  
839 CuCN Copper cyanide cucn  
840 ZnCN Zinc monocyanide zncn  
841 ZnNC Zinc isocyanide znnc  
842 AlCN Aluminum monocyanide alcn  
843 AlNC Aluminum isocyanide alnc  
844 CN2 3H-Diazirin-3-ylidene cn2  
845 CNN Diazocarbene cnn  
846 NCN Cyanoimidogen ncn  
847 N3 azide radical n3  
848 N3- azide anion n3-  
849 N3+ azide cation n3+  
850 HCCN cyanomethylene hccn  
851 HCNN diazomethyl radical hcnn  
852 HN3 hydrogen azide hn3  
853 HN3+ Hydrazoic acid cation hn3+  
854 HNCNH diiminomethane hncnh  
855 CH2N2 diazirine ch2n2  
856 CH2NN diazomethane ch2nn  
857 NH2CN cyanamide cyanamide  
858 HNNNH+ 1,2-Triazadienium n2h3+  
859 NH2NN+ hydrazoic acid, protonated nh2nn+  
860 CH3CN Acetonitrile ch3cn  
861 CH3CN- acetonitrile anion ch3cn-  
862 CH3CN+ Acetonitrile cation ch3cn+  
863 CH3NC methyl isocyanide ch3nc  
864 CHNCH2 2H-Azirine c157164  
865 CHNHCH 1H-Azirine chnhch  
866 H2CCNH Ethenimine ch2cnh  
867 H2CNCH methyleneaminomethylene ch2nch  
868 HCCNH2 Ethynamine hccnh2  
869 HCNCH2+ 2H-Azirine cation hcnch2+  
870 HNCNH2+ diiminomethane, protonated hncnh2+  
871 NCNH3+ Cyanamide, protonated ncnh3+  
872 NH2CNH+ cyanamide, cn protonated nh2cnh+  
873 NH3CN+ cyanamide, amine protonated nh3cn+  
874 CH2CHNH vinylazine ch2chnh  
875 CH3CHN methylmethaniminyl radical ch3chn  
876 NHCHNH2 aminomethanimine cn2h4  
877 C2H5N Aziridine c2h5n  
878 CH2CHNH2 aminoethene aminoethene  
879 CH2NCH3 N-methylmethanimine nmm  
880 CH3CHNH ethanimine ethanimine  
881 NH2BHNH2 diaminoborane nh2bhnh2  
882 C2H5NH+ Protonated Aziridine c2h5nh+  
883 C2H6N+ aziridine, protonated c2h6n+  
884 NH2CH2NH2 diaminomethane nh2ch2nh2  
885 CH3CH2NH2 Ethylamine etam  
886 CH3NHCH3 Dimethylamine ch3nhch3  
887 CH3PHCH3 dimethylphosphine ch3phch3  
888 NH2CH2NH3+ diaminoethane, protonated pdam  
889 (CH3)2NH2+ dimethylammonium cation dmam  
890 CH3CH2NH3+ ethylamine, protonated pea  
891 Li2O dilithium oxide li2o  
892 Li2O+ dilithium oxide cation li2o+  
893 Li2S dilithium sulfide li2s  
894 Na2O disodium monoxide na2o  
895 Na2S Sodium sulfide na2s  
896 LiO2 Lithium dioxide lio2  
897 NaO2 Sodium superoxide nao2  
898 CCO Dicarbon monoxide cco  
899 CNO- fulminate cno-  
900 NCO isocyanato radical nco  
901 NCO- cyanate nco-  
902 SCN thiocyanato radical scn  
903 SCN- thiocyanide anion scn-  
904 BO2 Boron dioxide bo2  
905 BO2- Boron dioxide anion bo2-  
906 BO2+ Boron dioxide cation bo2+  
907 N2O Nitrous oxide n2o  
908 N2O- Nitrous oxide anion n2o-  
909 N2O+ Nitrous oxide cation n2o+  
910 NNS Nitrogen sulfide nns  
911 PPO Phosphorus oxide phosphide ppo  
912 CO2 Carbon dioxide co2  
913 CO2- Carbon dioxide anion co2-  
914 CO2+ Carbon dioxide cation co2+  
915 OCS+ Carbonyl sulfide cation cos+  
916 SiO2 silicon dioxide sio2  
917 CS2 Carbon disulfide cs2  
918 CS2- Carbon disulfide anion cs2-  
919 CS2+ Carbon disulfide cation cs2+  
920 TiO2 Titanium dioxide tio2  
921 SiS2 Silicon disulfide sis2  
922 GeO2 Germanium dioxide geo2  
923 OCSe Carbonyl selenide ocse  
924 SCSe Carbon sulfide selenide scse  
925 GeS2 Germanium disulfide ges2  
926 CSe2 Carbon diselenide cse2  
927 SCTe Carbon sulfide Telluride scte  
928 NO2 Nitrogen dioxide no2  
929 NO2- Nitrogen dioxide anion no2-  
930 NO2+ Nitrogen dioxide cation no2+  
931 NSO sulfinyl amidogen NSO  
932 PO2 Phosphorus dioxide po2  
933 PO2- Phosphorus dioxide anion po2-  
934 PO2+ Phosphorus dioxide cation po2+  
935 SNO Nitrogen oxide sulfide sno  
936 AsO2 Aresenic dioxide aso2  
937 O3 Ozone o3  
938 O3- Ozone anion o3-  
939 O3+ Ozone cation o3+  
940 SO2 Sulfur dioxide so2  
941 SO2- Sulfur dioxide anion so2-  
942 SO2+ Sulfur dioxide cation so2+  
943 SSO Disulfur monoxide sso  
944 S3- Sulfur trimer anion s3-  
945 S3+ Sulfur trimer cation s3+  
946 SeO2 Selenium dioxide seo2  
947 SeO2+ Selenium dioxide cation seo2+  
948 TeO2 Tellurium Dioxide teo2  
949 HCCO ketenyl radical ketenyl  
950 CS2H+ Carbon disulfide, protonated cs2h+  
951 HCNO fulminic acid hcno  
952 HNCO Isocyanic acid hnco  
953 HOCN cyanic acid hocn  
954 HNCS Isothiocyanic acid hncs  
955 HSCN thiocyanic acid hscn  
956 HCO2- formate anion hco2-  
957 HNNO nitrosoazane hnno  
958 HNNO+ Nitrous oxide, N-protonated hnno+  
959 NNOH+ Nitrous Oxide, O-protonated nnoh+  
960 HCOO formate neutral radical hcoo  
961 HOCO Hydrocarboxyl radical hoco  
962 HOCO+ Hydrocarboxyl cation hoco+  
963 HNO2 Nitrous acid hno2  
964 HNO2+ nitrous acid cation hno2+  
965 O3H+ protonated ozone o3h+  
966 SO2H+ protonated sulfur dioxide so2h+  
967 C2H2O Oxirene oxirene  
968 CH2CO Ketene ch2co  
969 CH2CO+ Ketene cation ch2co+  
970 HCCOH ethynol hccoh  
971 CH2CS Thioketene ch2cs  
972 Be(OH)2 Beryllium hydroxide beo2h2  
973 Mg(OH)2 Magnesium dihydroxide h2mgo2  
974 NH2NO Nitrosamide nh2no  
975 CH2O2 Dioxirane diox  
976 H2COO Dioxymethyl radical h2coo  
977 H2COO+ dioxymethyl cation h2coo+  
978 HCOOH Formic acid ch2o2  
979 H2O3 Hydrogen trioxide h2o3  
980 HSSSH trisulfane hsssh  
981 NaOCH3 Sodium methoxide naoch3  
982 CH2BOH hydroxy(methylene)borane ch2boh  
983 BH3CO Borane carbonyl bh3co  
984 CH3BO Borane, methyloxo- ch3bo  
985 CH2CHO Vinyloxy radical ch2cho  
986 CH2COH+ ketene, protonated ch2coh+  
987 CH3CO Acetyl radical ch3co  
988 CH3CO- Acetyl anion ch3co-  
989 CH3CO+ acetyl cation ch3co+  
990 CH2NOH formaldoxime ch2noh  
991 CH3NO nitrosomethane ch3no  
992 CHONH2 formamide formamide  
993 CNOH3 1,2-oxaziridine cnoh3  
994 HOCHNH hydroxymethylimine hochnh  
995 CHSNH2 thioformamide chsnh2  
996 NHCHSH Methanimidothioic acid nhchsh  
997 CH2OOH CH2OOH radical ch2ooh  
998 CH3OO methylperoxy radical ch3oo  
999 CH3OO- methylperoxy anion ch3oo-  
1000 CH3OO+ methylperoxy cation ch3oo+  
1001 C2H4O Ethylene oxide c2h4o  
1002 C2H4O+ ethylene oxide cation c2h4o+  
1003 CH2CHOH ethenol ch2choh  
1004 CH3CHO Acetaldehyde ch3cho  
1005 CH3CHO+ acetaldehyde cation ch3cho+  
1006 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1007 C2H4S Thiirane thiirane  
1008 CH2CHSH Ethenethiol ch2chsh  
1009 CH3CHS Thioacetaldehyde ch3chs  
1010 H2CONH2+ protonated formamide h2conh2+  
1011 NH2CHOH+ Formamide, O-protonated nh2choh+  
1012 NH3CHO+ Formamide, N-Protonated nh3cho+  
1013 CH2(OH)2 methanediol ch2o2h2  
1014 CH3OOH Methyl peroxide ch3ooh  
1015 CH3SSH Hydrogen methyl disulfide ch3ssh  
1016 HSCH2SH Methanedithiol ch4s2  
1017 H2OH2CO water formaldehyde dimer h2oh2co  
1018 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1019 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1020 CH3CH2O Ethoxy radical ethoxy  
1021 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1022 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1023 CH3OCH2 methoxymethyl radical ch3och2  
1024 NH2CH2OH aminomethanol nh2ch2oh  
1025 CH3CH2OH Ethanol etoh  
1026 CH3OCH3 Dimethyl ether meome  
1027 CH3CH2SH ethanethiol etsh  
1028 CH3SCH3 Dimethyl sulfide mesme  
1029 CH3SCH3+ dimethyl sulfide cation mesme+  
1030 CH3SeCH3 dimethylselenide dmse  
1031 CH3OHH2O methanol water dimer ch3ohh2o  
1032 H2OCH3OH water methanol dimer h2och3oh  
1033 CuF2 Copper difluoride cuf2  
1034 ZnF2 Zinc difluoride znf2  
1035 CNF iso cyanogen fluoride cnf  
1036 FCN Cyanogen fluoride fcn  
1037 ClCN chlorocyanogen clcn  
1038 BrCN Cyanogen bromide brcn  
1039 ICN Cyanogen iodide icn  
1040 FBO Boron monofluoride monoxide fbo  
1041 BeF2 Beryllium fluoride bef2  
1042 MgF2 Magnesium fluoride mgf2  
1043 BeCl2 Beryllium chloride becl2  
1044 MgCl2 Magnesium dichloride mgcl2  
1045 CaCl2 Calcium Chloride cacl2  
1046 ZnCl2 Zinc dichloride zncl2  
1047 BeBr2 Beryllium bromide bebr2  
1048 CaBr2 Calcium dibromide cabr2  
1049 CaF2 Calcium difluoride caf2  
1050 FCO Carbonyl fluoride fco  
1051 FCO+ Carbonyl fluoride cation fco+  
1052 ClCO carbonyl monochloride clco  
1053 BF2 Boron difluoride radical bf2  
1054 FNO Nitrosyl fluoride fno  
1055 ClNO Nitrosyl chloride clno  
1056 FNS Thionitrosyl fluoride fns  
1057 FSN Thiazyl fluoride fsn  
1058 OPCl Phosphorus oxychloride opcl  
1059 BrNO Nitrosyl bromide brno  
1060 INO Nitrosyl iodide ino  
1061 CF2- Difluoromethylene anion cf2-  
1062 CF2+ Difluoromethylene cation cf2+  
1063 CFCl chlorofluoromethylene cfcl  
1064 SiF2 Silicon difluoride sif2  
1065 SiF2+ Silicon difluoride cation sif2+  
1066 CCl2 dichloromethylene ccl2  
1067 CCl2- dichloromethylene anion ccl2-  
1068 CCl2+ dichloromethylene cation ccl2+  
1069 SiCl2 Dichlorosilylene sicl2  
1070 GeF2 Germanium difluoride gef2  
1071 GeCl2 Germanium dichloride gecl2  
1072 CBr2 dibromomethylene cbr2  
1073 FOO Dioxygen monofluoride radical foo  
1074 FOO+ Fluorine dioxide cation foo+  
1075 ClOO chloroperoxy radical cloo  
1076 ClOO+ chloroperoxy cation cloo+  
1077 OClO Chlorine dioxide oclo  
1078 OClO- Chlorine dioxide anion oclo-  
1079 OClO+ Chlorine dioxide cation oclo+  
1080 ClSO Sulfur chloride oxide clso  
1081 ClS2 Sulfur chloride cls2  
1082 BrOO Bromine dioxide broo  
1083 OBrO Bromine dioxide radical obro  
1084 NF2 Difluoroamino radical nf2  
1085 NF2+ Difluoroamino cation nf2+  
1086 PF2 Phosphorus difluoride pf2  
1087 PF2+ Phosphorus difluoride cation pf2+  
1088 FClO chlorosyl fluoride fclo  
1089 F2O Difluorine monoxide f2o  
1090 ClOF Chlorine hypofluorite clof  
1091 SF2 sulfur difluoride sf2  
1092 SF2- sulfur difluoride anion sf2-  
1093 SF2+ sulfur difluoride cation sf2+  
1094 Cl2O Dichlorine monoxide cl2o  
1095 SCl2 Sulfur dichloride scl2  
1096 SeF2 Selenium difluoride sef2  
1097 BrOCl Bromine hypochlorite brocl  
1098 SeCl2 Selenium Dichloride secl2  
1099 SBr2 Sulfur dibromide sbr2  
1100 SeBr2 Selenium dibromide sebr2  
1101 BrOBr Bromine oxide brobr  
1102 F3- trifluoride anion f3-  
1103 Cl3- trichloride anion cl3-  
1104 Br3- tribromide anion br3-  
1105 I3- triiodide i3-  
1106 SFCl Sulfur chloride fluoride sfcl  
1107 HCCF Fluoroacetylene hccf  
1108 HCCF+ fluoroacetylene cation hccf+  
1109 HCCCl Chloroacetylene hcccl  
1110 HCCBr bromoacetylene hccbr  
1111 HFCO formyl fluoride hfco  
1112 HFCO+ formyl fluoride cation hfco+  
1113 COHCl Formyl chloride cohcl  
1114 COHBr Formyl bromide cohbr  
1115 BHF2 Difluoroborane bhf2  
1116 BHCl2 Borane, dichloro- bhcl2  
1117 CHCl2 dichloromethyl radical chcl2  
1118 CHF2 difluoromethyl radical chf2  
1119 CHF2+ difluoromethyl cation chf2+  
1120 CHFCl Chlorofluoromethyl radical chfcl  
1121 CHFCl+ Chlorofluoromethyl cation chfcl+  
1122 CHCl2+ dichloromethyl cation chcl2+  
1123 CHBr2 dibromomethyl radical chbr2  
1124 HOClO Chlorous acid hoclo  
1125 NHF2 difluoramine nhf2  
1126 NHCl2 dichloroamine nhcl2  
1127 CH2F2 Methane, difluoro- ch2f2  
1128 CH2FCl fluorochloromethane ch2fcl  
1129 SiH2F2 difluorosilane sih2f2  
1130 CH2Cl2 Methylene chloride ch2cl2  
1131 CH2BrF Methane, bromofluoro- ch2fbr  
1132 CH2BrCl Methane, bromochloro- ch2clbr  
1133 CH2FI fluoroiodomethane ch2fi  
1134 CH2Br2 dibromomethane ch2br2  
1135 CH2ClI chloroiodomethane ch2cli  
1136 CH2BrI bromoiodomethane ch2bri  
1137 CH2I2 Diiodomethane ch2i2  
1138 SiH2Cl2 dichlorosilane sih2cl2  
1139 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1140 CH2CHF Ethene, fluoro- ch2chf  
1141 CH2CHF+ fluoroethene cation ch2chf+  
1142 C2H3Cl Ethene, chloro- ch2chcl  
1143 C2H3Br vinyl bromide c2h3br  
1144 C2H3I Vinyl iodide c2h3i  
1145 CH2FOH fluoromethanol ch2foh  
1146 CH3OCl methyl hypochlorite ch3ocl  
1147 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1148 CHClCH3 1-chloroethyl radical chclch3  
1149 C2H5F fluoroethane c2h5f  
1150 CH3CH2Cl Ethyl chloride c2h5cl  
1151 CH3SiFH2 fluoromethylsilane ch3sifh2  
1152 C2H5Br Ethyl bromide etbr  
1153 C2H5I Ethyl iodide c2h5i  
1154 KrF2 Krypton difluoride krf2  
1155 XeF2 Xenon difluoride xef2  
1156 B4H10 Tetraborane(10) b4h10  
1157 C4 Carbon tetramer c4  
1158 C4+ Carbon tetramer cation c4+  
1159 C4H2 Diacetylene c4h2  
1160 C4H2+ diacetlyene cation c4h2+  
1161 C2H3CCH 1-Buten-3-yne c2h3cch  
1162 C4H4 cyclobutadiene cbd  
1163 C4H4 Tetrahedrane c4h4  
1164 H2CCCCH2 Butatriene h2cccch2  
1165 C4H6 1-Methylcyclopropene c3100047  
1166 C4H6 Cyclobutene c822355  
1167 C4H6 Methylenecyclopropane c6142730  
1168 CH2CCHCH3 1,2-Butadiene butad12  
1169 CH2CHCHCH2 1,3-Butadiene c106990  
1170 CH3CCCH3 2-Butyne c503173  
1171 CHCCH2CH3 1-Butyne c107006  
1172 CH3CHCHCH2 methylallyl radical c4h7  
1173 C4H8 methylcyclopropane mcp  
1174 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1175 CH2CHCH2CH3 1-Butene bute1  
1176 CH3CHCHCH3 2-Butene, (E)- bute2e  
1177 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1178 B(CH3)3 trimethylborane bme3  
1179 Al(CH3)3 trimethyl aluminum tma  
1180 C(CH3)3 Tert-butyl radical tbutyl  
1181 CH2CH(CH3)2 Isobutyl radical isobutyl  
1182 CH3CHCH2CH3 2-Butyl radical butyl2  
1183 CH3CH(CH3)CH3 Isobutane isobutane  
1184 CH3CH2CH2CH3 Butane butane  
1185 SiH(CH3)3 trimethylsilane trimsi  
1186 Li3N trilithium nitride li3n  
1187 C2N2 Cyanogen c2n2  
1188 C2N2+ Cyanogen cation c2n2+  
1189 P4 Phosphorus tetramer p4  
1190 As4 Arsenic tetramer as4  
1191 HCCCN Cyanoacetylene hcccn  
1192 HCCCN+ Cyanoacetylene cation hcccn+  
1193 H2CNCN cyanamide, methylene ch2ncn  
1194 HNCCNH Ethenediimine hnccnh  
1195 C3H3N acrylonitrile ch2chcn  
1196 C3H3N+ acrylonitrile cation ch2chcn+  
1197 CH3N3 methyl azide ch3n3  
1198 NH2CCNH2 Diaminoacetylene daa  
1199 NH2CH2CN Aminoacetonitrile aan  
1200 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1201 C2H5CN ethyl cyanide c2h5cn  
1202 CH5N3 Guanidine guanidine  
1203 C4H6 Bicyclo[1.1.0]butane c157335  
1204 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1205 H2NCHCHNH2 diaminoethylene dae  
1206 CH6N3+ guanidinium ch6n3+  
1207 C3H7N Cyclopropylamine cpram  
1208 CH7N3 triaminomethane tam  
1209 C3H7N Azetidine azet  
1210 C4H8 cyclobutane cbutane  
1211 C2H8N2 Ethylenediamine ethdiam  
1212 CH3NHNHCH3 dimethyl hydrazine dmh  
1213 CH3CH(NH2)CH3 2-Propanamine pram2  
1214 N(CH3)3 Trimethylamine trimeam  
1215 NH2CH2CH2CH3 1-Propanamine pram1  
1216 P(CH3)3 trimethylphosphine tmp  
1217 N(SiH3)3 trisilylamine tsa  
1218 As(CH3)3 trimethyl arsine tmas  
1219 (CH3)3NH+ protonated trimethyl amine ptma  
1220 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1221 Li2O2 dilithium dioxide li2o2  
1222 Na2O2 disodium dioxide na2o2  
1223 K2O2 dipotassium dioxide k2o2  
1224 C3O Tricarbon monoxide c3o  
1225 B2O2 Diboron dioxide b2o2  
1226 ONNO NO dimer onno  
1227 S2N2 Disulfur dinitride s2n2  
1228 CO3 Carbon trioxide co3  
1229 CO3-- carbonate co3--  
1230 CS3-- Carbonotrithioate cs3--  
1231 NO3 Nitrogen trioxide no3  
1232 NO3- nitrate anion no3-  
1233 NO3+ nitrogen trioxide cation no3+  
1234 SO3 Sulfur trioxide so3  
1235 SO3- Sulfur trioxide anion so3-  
1236 SO3-- Sulfate dianion so3--  
1237 SO3+ Sulfur trioxide cation so3+  
1238 SeO3 selenium trioxide seo3  
1239 S4 Sulfur tetramer s4  
1240 TeO3 Tellurium trioxide teo3  
1241 HCO3- bicarbonate anion hco3-  
1242 HNO3 Nitric acid hno3  
1243 HSO3 Hydroxysulfonyl radical hso3  
1244 NH2NO2 nitramide nh2no2  
1245 C2H2CO cyclopropenone c2h2co  
1246 C3H2O Propadienal c3h2o  
1247 HCCCHO 2-propynal hcccho  
1248 C2H2O2 Ethanedial c2h2o2  
1249 C2H2O2+ Ethanedial cation c2h2o2+  
1250 H2CO3 Carbonic acid h2co3  
1251 H2CS3 thiocarbonic acid h2cs3  
1252 H2NO3+ Nitric Acid, Protonated h2no3+  
1253 H2SO3 Sulfurous acid h2so3  
1254 C2H3NO Nitrosoethylene c2h3no  
1255 CH3NCO methylisocyante ch3nco  
1256 HOCH2CN cyanomethanol hoch2cn  
1257 CH3COO- acetate anion ch3coo-  
1258 CH3NO2 Methane, nitro- ch3no2  
1259 CH3ONO Methyl nitrite ch3ono  
1260 NH2COOH Carbamic acid nh2cooh  
1261 H3BO3 Boric acid h3bo3  
1262 H3AlO3 Aluminum hydroxide h3alo3  
1263 H3CO3+ carbonic acid, protonated h3co3+  
1264 C3H4O 2-Propyn-1-ol c107197  
1265 C3H4O allenol c9000071  
1266 C3H4O Cyclopropanone cpone  
1267 C3H4O Methylketene c6004440  
1268 CH2CHCHO Acrolein c3h4o  
1269 NH2CONH2 Urea urea  
1270 NH2CONH2+ Urea cation urea+  
1271 NH2CSNH2 Thiourea thiourea  
1272 C2H4O2 1,3-dioxetane c2h4o2  
1273 CH3COOH Acetic acid ch3cooh  
1274 CH3OCHO methyl formate ch3ocho  
1275 CHOCH2OH hydroxy acetaldehyde haa  
1276 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1277 NH3COOH+ protonated Carbamic acid nh3cooh+  
1278 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1279 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1280 HCOOHH2O Formic acid water dimer hcoohh2o  
1281 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1282 CH3COCH2 Acetonyl radical ch3coch2  
1283 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1284 CH3C(OH)=NH Ethaninidic acid eia  
1285 CH3CHNOH Acetaldoxime acetaldoxime  
1286 CH3CONH2 Acetamide acetamide  
1287 HCONHCH3 N-methylformamide nmfa  
1288 CH3CSNH2 Ethanethioamide ch3csnh2  
1289 CH5N2O+ urea, N-protonated ch4n2o+  
1290 H2NCOHNH2+ urea, protonated ureah+  
1291 C2H5OO ethylperoxy radical c2h5oo  
1292 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1293 C3H5OH Cyclopropanol cproh  
1294 C3H6O 2-Propen-1-ol c107186  
1295 C3H6O Acetone enol enol  
1296 C3H6O Oxetane oxetane  
1297 C3H6O Propylene oxide prox  
1298 CH3CH2CHO Propanal propanal  
1299 CH3COCH3 Acetone acetone  
1300 CH3COCH3- acetone anion ch3coch3-  
1301 C3H6S Thietane thietane  
1302 C3H6S Thiirane, methyl- methiirane  
1303 CH3CSCH3 Thioacetone ch3csch3  
1304 C2H6O2 1,2-Ethanediol ethdiol  
1305 CH3OOCH3 dimethylperoxide dmp  
1306 CH3SOCH3 Dimethyl sulfoxide dmso  
1307 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1308 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1309 CH3COHCH3+ acetone, protonated acetoneh+  
1310 HOCH2CH2NH2 monoethanolamine mea  
1311 C3H7OH 1-Propanol proh  
1312 CH3CHOHCH3 Isopropyl alcohol isoproh  
1313 CH3OC2H5 Ethane, methoxy- etome  
1314 C3H7SH 1-Propanethiol prsh  
1315 CH3CHSHCH3 2-Propanethiol isoprsh  
1316 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1317 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1318 Li2F2 Lithium fluoride dimer li2f2  
1319 Na2F2 Sodium Fluoride Dimer na2f2  
1320 Na2Cl2 Disodium dichloride na2cl2  
1321 C2F2 difluoroacetylene c2f2  
1322 C2Cl2 dichloroacetylene c2cl2  
1323 C2Cl2+ dichloroacetylene cation c2cl2+  
1324 FNO2 Nitryl fluoride fno2  
1325 FONO Nitrosyl hypofluorite fono  
1326 ClNO2 Nitryl chloride clno2  
1327 ClONO chlorine nitrite clono  
1328 BrONO Bromine nitrite brono  
1329 N2F2 (Z)-Difluorodiazene n2f2_z  
1330 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1331 CF2O Carbonic difluoride f2co  
1332 CF2O+ Carbonic difluoride cation f2co+  
1333 COFCl Carbonic chloride fluoride cofcl  
1334 CCl2O Phosgene cl2co  
1335 Cl2CS Thiophosgene cl2cs  
1336 COBr2 Carbonic dibromide cobr2  
1337 BF3 Borane, trifluoro- bf3  
1338 BF3- Borane, trifluoro- anion bf3-  
1339 BF3+ boron trifluoride cation bf3+  
1340 AlF3 Aluminum trifluoride alf3  
1341 BClF2 Chlorodifluoroborane bclf2  
1342 AlF2Cl Aluminum chloride difluoride alclf2  
1343 ScF3 Scandium trifluoride ScF3  
1344 AlFCl2 Aluminum dichloride fluoride alcl2f  
1345 BCl3 Borane, trichloro- bcl3  
1346 BCl3+ Boron Trichloride cation bcl3+  
1347 GaF3 Gallium trifluoride gaf3  
1348 AlCl3 Aluminum trichloride alcl3  
1349 GaCl3 Gallium trichloride gacl3  
1350 BBr3 Boron tribromide bbr3  
1351 AlBr3 Aluminum Bromide albr3  
1352 ClO3 Chlorine trioxide clo3  
1353 ClO3- chlorate anion clo3-  
1354 BrO3- Bromate anion bro3-  
1355 CF3 Trifluoromethyl radical cf3  
1356 CF3- Trifluoromethyl anion cf3-  
1357 CF3+ Trifluoromethyl cation cf3+  
1358 CF2Cl difluorochloromethyl radical cf2cl  
1359 SiF3 Silicon trifluoride radical sif3  
1360 SiF3+ Silicon trifluoride cation sif3+  
1361 CFCl2 dichlorofluoromethyl radical cfcl2  
1362 CCl3 Trichloromethyl radical ccl3  
1363 CCl3- Trichloromethyl anion ccl3-  
1364 CCl3+ Trichloromethyl cation ccl3+  
1365 SiCl3 trichlorosilyl radical sicl3  
1366 SiCl3+ trichlorosilyl cation sicl3+  
1367 CBr3 tribromomethyl radical cbr3  
1368 FOOF Perfluoroperoxide foof  
1369 ClO2F Chloryl fluoride clo2f  
1370 F2SO Thionyl Fluoride f2so  
1371 ClOOCl Dichlorine dioxide cloocl  
1372 FSSF Difluorodisulfane fssf  
1373 S2F2 Thio-thionyl fluoride s2f2  
1374 SOCl2 thionyl chloride socl2  
1375 SSCl2 Thiothionyl chloride sscl2  
1376 SeOCl2 selenium oxychloride seocl2  
1377 NF3 Nitrogen trifluoride nf3  
1378 NF3- Nitrogen trifluoride anion nf3-  
1379 NF3+ Nitrogen trifluoride cation nf3+  
1380 PF3 Phosphorus trifluoride pf3  
1381 NCl3 nitrogen trichloride ncl3  
1382 AsF3 Arsenic trifluoride asf3  
1383 PCl3 Phosphorus trichloride pcl3  
1384 SbF3 Antimony Trifluoride sbf3  
1385 AsCl3 Arsenous trichloride ascl3  
1386 SbCl3 Antimony Trichloride sbcl3  
1387 NBr3 Nitrogen Tribromide nbr3  
1388 PBr3 Phosphorus tribromide pbr3  
1389 AsBr3 Arsenic tribromide asbr3  
1390 NI3 Nitrogen triiodide ni3  
1391 PI3 Phosphorus triiodide pi3  
1392 ClSSCl Disulfur dichloride s2cl2  
1393 SF3 Sulfur trifluoride sf3  
1394 ClF3 Chlorine trifluoride clf3  
1395 BrF3 Bromine trifluoride brf3  
1396 IF3 iodone trifluoride if3  
1397 HClO3 Chloric Acid hclo3  
1398 CHF3 Methane, trifluoro- chf3  
1399 CHF2Cl difluorochloromethane chf2cl  
1400 SiHF3 trifluorosilane sihf3  
1401 CHFCl2 fluorodichloromethane chfcl2  
1402 CDCl3 trichloromethane-d cdcl3  
1403 CHCl3 Chloroform chcl3  
1404 CHBrF2 Methane, bromodifluoro- chbrf2  
1405 SiHCl3 Trichlorosilane sihcl3  
1406 CHFClBr fluorochlorobromomethane chfclbr  
1407 CHBrCl2 Methane, bromodichloro- chbrcl2  
1408 CHF2I difluoroiodomethane chf2i  
1409 CHBr2F dibromofluoromethane chbr2f  
1410 CHFClI fluorochloroiodomethane chfcli  
1411 CHCl2I dichloroiodomethane chcl2i  
1412 CHClBr2 Methane, dibromochloro- chclbr2  
1413 CHBr3 bromoform chbr3  
1414 CHI3 Iodoform chi3  
1415 NF3H+ protonated nitrogen trifluoride nf3h+  
1416 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1417 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1418 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1419 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1420 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1421 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1422 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1423 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1424 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1425 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1426 C2H2Br2 1,1-dibromoethene c2h2br2  
1427 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1428 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1429 CH2FCHO Fluoroacetaldehyde ch2fcho  
1430 CH3COF Acetyl fluoride ch3cof  
1431 CH2ClCHO chloroacetaldehyde ch2clcho  
1432 CH3COCl Acetyl Chloride ch3cocl  
1433 C2H4F2 1,2-difluoroethane c2h4f2  
1434 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1435 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1436 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1437 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1438 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1439 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1440 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1441 CH2CFCH3 2-fluoropropene 2fpro  
1442 CH2CHCH2F Allyl Fluoride allylf  
1443 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1444 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1445 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1446 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1447 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1448 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1449 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1450 CH2FCH2CH3 1-Fluoropropane prf1  
1451 CH3CHFCH3 2-Fluoropropane prf2  
1452 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1453 CH3CHClCH3 Propane, 2-chloro- prcl2  
1454 CH3CH2CH2Br n-propyl bromide prbr  
1455 CH3CHBrCH3 i-propyl bromide iprbr  
1456 C3H9O+ trimethyl oxonium cation c3h9o+  
1457 B5H9 pentaborane9 b5h9  
1458 C5H4 pentatetraene ptrene  
1459 C5H5 cyclopentadienyl radical c5h5  
1460 C5H5- cylopentadienyl anion c5h5-  
1461 C5H6 1,3-Cyclopentadiene c542927  
1462 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1463 C5H6 3-Penten-1-yne, (E)- c2004695  
1464 C5H6 3-Penten-1-yne, (Z)- c1574409  
1465 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1466 C5H6 Cyclopropylacetylene c6746947  
1467 C5H6 Propellane propellane  
1468 C5H7 1,3-pentadienyl radical pdyl  
1469 C5H7 cyclopentenyl radical cpyl  
1470 C5H8 1,2-Butadiene, 3-methyl- c598254  
1471 C5H8 1,2-Pentadiene c591957  
1472 C5H8 1,3-Butadiene, 2-methyl- c78795  
1473 C5H8 1,3-Pentadiene, (E)- c2004708  
1474 C5H8 1,3-Pentadiene, (Z)- c1574410  
1475 C5H8 1,4-Pentadiene c591935  
1476 C5H8 1-pentyne a1pentyne  
1477 C5H8 2,3-Pentadiene c591968  
1478 C5H8 Bicyclo[1.1.1]pentane bcp  
1479 C5H8 Cyclobutane, methylene- c1120565  
1480 C5H8 Cyclopentene c142290  
1481 C5H8 Ethenylcyclopropane c693867  
1482 CH3CCCH2CH3 2-Pentyne 2pentyne  
1483 C5H10 1-Butene, 2-methyl- c563462  
1484 C5H10 2-Butene, 2-methyl- c513359  
1485 C5H10 2-Pentene, (E)- c646048  
1486 C5H10 2-Pentene, (Z)- c627203  
1487 C5H10 Cyclopentane c287923  
1488 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1489 CH2CHCH2CH2CH3 1-pentene pentene  
1490 C5H11 2-Methylbut-2-yl radical c4348350  
1491 C5H12 Butane, 2-methyl- buta2  
1492 C5H12 Pentane pentane  
1493 C5H12 Propane, 2,2-dimethyl- neopentane  
1494 Si(CH3)4 tetramethylsilane tms  
1495 N2O3 Dinitrogen trioxide n2o3  
1496 C3H2N2 Malononitrile c3h2n2  
1497 CH2N4 1H-Tetrazole 1htz  
1498 C3H3N2 imidazolyl radical im  
1499 C3H3N2- imidizolyl anion im-  
1500 C2H3N3 1H-1,2,4-Triazole c288880  
1501 C4H4N pyrrolide radical c4h4n  
1502 C4H4N- pyrrolide anion c4h4n-  
1503 C3H4N2 1H-Imidazole 1himidaz  
1504 C3H4N2 1H-Pyrazole 1hpyraz  
1505 C3H4N2 2H-Imidazole imid2h  
1506 C3H4N2 4H-Imidazole imid4h  
1507 C4H5N (E)-2-Butenenitrile c627269  
1508 C4H5N (Z)-2-Butenenitrile c1190767  
1509 C4H5N 2H-pyrrole pyrrole2  
1510 C4H5N 3H-pyrrole pyrrole3  
1511 C4H5N Cyclopropanecarbonitrile c5500210  
1512 C4H5N Pyrrole pyrrole  
1513 CH2CHCH2CN Allylcyanide ch2chch2cn  
1514 C4H6N+ pyrrole, alpha-protonated appyr  
1515 C4H6N+ pyrrole, beta-protonated bppyr  
1516 C4H6N+ pyrrole, protonated ppyr  
1517 C3H6N2 3-Aminopropionitrile c151188  
1518 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1519 CH3CH2CH2CN Butanenitrile c109740  
1520 C5H8 Bicyclo[2.1.0]pentane c185944  
1521 C5H8 Spiropentane c157404  
1522 C4H9N Cyclobutylamine cbam  
1523 C4H9N Pyrrolidine pyrrolidine  
1524 C3H10N2 1,2-Diaminopropane diampr12  
1525 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1526 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1527 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1528 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1529 NH(C2H5)2 diethylamine dea  
1530 NC4H12+ tetramethyl ammonium cation nc4h12+  
1531 C3O2 Carbon suboxide c3o2  
1532 C3O2+ Carbon suboxide cation c3o2+  
1533 B2O3 diboron trioxide b2o3  
1534 MgCO3 Magnesium Carbonate mgco3  
1535 BeCO3 Beryllium Carbonate beco3  
1536 CaCO3 Calcium Carbonate caco3  
1537 ONONO Nitrosyl nitrite onono  
1538 PO4--- phosphate po4---  
1539 SO4-- sulfate so4--  
1540 HOONO2 peroxy nitric acid hoono2  
1541 HSO4- bisulfate anion hso4-  
1542 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1543 C3H2O2 Propiolic acid c3h2o2  
1544 CHOCOOH oxo acetic acid oaa  
1545 CHOOCHO diformyl ether choocho  
1546 H2SO4 Sulfuric acid h2so4  
1547 H2SeO4 Selenic acid h2seo4  
1548 C3H3NO Isoxazole isox  
1549 C3H3NO Oxazole oxazole  
1550 C3H3NS Thiazole thiazole  
1551 CH3C(O)OO acetyl peroxy radical ch3coo2  
1552 CH3NO3 Methyl nitrate ch3no3  
1553 H3PO4 Phosphoric Acid h3po4  
1554 C4H4O Furan furan  
1555 C4H4O+ Furan cation furan+  
1556 CH3COCCH 3-butyn-2-one c1423605  
1557 C4H4S Thiophene furans  
1558 C4H4Se selenophene c4h4se  
1559 C3H4O2 β–Propiolactone beta  
1560 C3H4O2 2-Propenoic acid propenoic2  
1561 C3H4O2 Methyl glyoxal megly  
1562 C3H4O2 propanedial propanedial  
1563 C3H4O2 propenalol propenalol  
1564 HOCHCCHOH allenediol aldiol  
1565 C2H4O3 1,2,3-trioxolane c2h4o3  
1566 C2H4O3 trioxolane124 triox  
1567 HOCH2COOH Hydroxyacetic acid hac  
1568 CH2CHCONH2 Acrylamide c79061  
1569 CH3OCH2CN Methoxyacetonitrile c1738369  
1570 CH5N3S Hydrazinecarbothioamide c79196  
1571 H2NCH2COOH Glycine glycine  
1572 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1573 C4H6O cis-2-butenal butenal2c  
1574 C4H6O Cyclobutanone cbutone  
1575 C4H6O Furan, 2,3-dihydro- furan23h  
1576 C4H6O Furan, 2,5-dihydro- furan25h  
1577 CH2CHOCHCH2 Vinyl ether vinylether  
1578 CHOCHCHCH3 2-Butenal butenal2  
1579 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1580 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1581 CH2CHSCHCH2 Divinyl sulfide divis  
1582 C2H6N2O Urea, methyl- c598505  
1583 C3H6O2 1,3-Dioxolane dioxolane  
1584 CH3CH2COOH Propanoic Acid propanoic  
1585 CH3COOCH3 methyl acetate aame  
1586 HCOOC2H5 Ethyl formate faee  
1587 C2H6O2S Dimethyl sulfone c67710  
1588 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1589 C3H7NO dimethylformamide dmf  
1590 C3H7NO Propanamide propanam  
1591 C2H3OC2H5 Ethene, ethoxy- c109922  
1592 C4H8O Cyclobutanol c2919235  
1593 C4H8O Furan, tetrahydro- thf  
1594 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1595 CH3COCH2CH3 2-Butanone buta2one  
1596 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1597 CHOCH2CH2CH3 Butanal butanal  
1598 C4H8S Thiophene, tetrahydro- tht  
1599 C3H8O2 1,3-Propanediol c504632  
1600 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1601 C3H8O2 Methane, dimethoxy- c109875  
1602 C3H8O2 Propylene glycol c57556  
1603 C3H8S2 1,3-Propanedithiol c109808  
1604 C4H10O 1-Butanol butanol1  
1605 C4H10O 1-Propanol, 2-methyl- c78831  
1606 C4H10O 2-Butanol, (.+/-.)- butanol2  
1607 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1608 C4H10O Ethoxy ethane etoet  
1609 C4H10O Methyl propyl ether meopr  
1610 C4H10O Propane, 2-methoxy- c598538  
1611 C4H10O+ 1-Butanol cation butanol1+  
1612 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1613 C2H5SC2H5 Diethyl sulfide etset  
1614 C4H9SH 1-Butanethiol bush  
1615 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1616 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1617 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1618 FNO3 Fluorine nitrate fno3  
1619 ClONO2 Chlorine nitrate clono2  
1620 BrONO2 Bromine nitrate brono2  
1621 TiCl4 Titanium tetrachloride ticl4  
1622 ClO4- perchlorate anion clo4-  
1623 BF4- tetrafluoroboron anion bf4-  
1624 ClFO3 Perchloryl fluoride clfo3  
1625 SO2F2 Sulfuryl fluoride so2f2  
1626 SO2Cl2 Sulfuryl chloride so2cl2  
1627 F3NO Nitrogen trifluoride oxide f3no  
1628 F3PO Phosphoryl fluoride pf3o  
1629 Cl3PO Phosphoryl chloride pcl3o  
1630 CF4 Carbon tetrafluoride cf4  
1631 CF3Cl Methane, chlorotrifluoro- cf3cl  
1632 SiF4 Silicon tetrafluoride sif4  
1633 CF2Cl2 difluorodichloromethane cf2cl2  
1634 TiF4 Titanium tetrafluoride tif4  
1635 CFCl3 Trichloromonofluoromethane cfcl3  
1636 CF3Br Bromotrifluoromethane cf3br  
1637 GeF4 Germanium tetrafluoride gef4  
1638 CCl4 Carbon tetrachloride ccl4  
1639 CCl4+ Carbon tetrachloride cation ccl4+  
1640 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1641 SiCl4 Silane, tetrachloro- sicl4  
1642 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1643 CF3I trifluoroiodomethane cf3i  
1644 CBrCl3 Methane, bromotrichloro- cbrcl3  
1645 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1646 GeCl4 Germanium Tetrachloride gecl4  
1647 CBr2ClF dibromochlorofluoromethane cbr2clf  
1648 CBr2Cl2 dibromodichloromethane cbr2cl2  
1649 CCl3I trichloroiodomethane ccl3i  
1650 CFBr3 fluorotribromomethane cfbr3  
1651 CFClBrI fluorochlorobromoiodomethane cfclbri  
1652 CBr3Cl tribromochloromethane cbr3cl  
1653 CF2I2 difluorodiiodomethane cf2i2  
1654 CBr4 Carbon tetrabromide cbr4  
1655 CCl2I2 dichlorodiiodomethane ccl2i2  
1656 SiBr4 Silicon tetrabromide sibr4  
1657 CBr3I tribromoiododmethane cbr3i  
1658 GeBr4 Germanium tetrabromide gebr4  
1659 CI4 tetraiodomethane ci4  
1660 SiI4 silicon tetraiodide sii4  
1661 ClOF3 Chlorine trifluoride oxide clof3  
1662 SF4 Sulfur tetrafluoride sf4  
1663 SeF4 Selenium tetrafluoride sef4  
1664 SCl4 Sulfur tetrachloride scl4  
1665 C2HF3 Trifluoroethylene c2hf3  
1666 C2HF3+ Trifluoroethylene cation c2hf3+  
1667 CHClCCl2 Trichloroethylene chclccl2  
1668 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1669 HClO4 perchloric acid hclo4  
1670 HSO3F Fluorosulfonic acid hso3f  
1671 CF3OH trifluoromethanol cf3oh  
1672 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1673 CHClCCHCl 1,3-dichloroallene chclcchcl  
1674 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1675 CHCl2CHO dichloroacetaldehyde chcl2cho  
1676 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1677 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1678 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1679 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1680 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1681 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1682 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1683 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1684 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1685 NH3BCl3 Amminetrichloroboron nh3bcl3  
1686 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1687 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1688 C3H5ClO Oxirane, (chloromethyl)- c106898  
1689 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1690 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1691 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1692 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1693 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1694 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1695 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1696 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1697 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1698 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1699 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1700 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1701 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1702 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1703 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1704 C4H9F 1-fluorobutane butaf1  
1705 CH3CHFCH2CH3 2-fluorobutane butaf2  
1706 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1707 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1708 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1709 XeF4 Xenon tetrafluoride xef4  
1710 C2H2N2O Furazan furazan  
1711 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1712 NH3BF3 Amminetrifluoroboron nh3bf3  
1713 C6H2 hexatriyne c6h2  
1714 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1715 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1716 C6H4 Benzyne benzyne  
1717 C6H5 phenyl phenyl  
1718 C6H5- phenyl anion phenyl-  
1719 C6H6 Prismane prismane  
1720 C6H6 1,2,4,5-Hexatetraene ht1245  
1721 C6H6 2,4-Hexadiyne hexadiyne  
1722 C6H6 3,4-Dimethylenecyclobutene cb34m  
1723 C6H6 Benzene benzene  
1724 C6H6 Benzvalene bv  
1725 C6H6 Dewar Benzene dewar  
1726 C6H6 Hexa-1,5-diene-3-yne hdy153  
1727 C6H6 Trimethylenecycopropane tmcp  
1728 C6H6+ Benzene cation c6h6+  
1729 C6H7+ benzene, protonated c6h7+  
1730 C6H8 (E)-hexa-1,3,5-triene c821078  
1731 C6H8 (E)-hexa-2,3,4-triene c59660650  
1732 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1733 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1734 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1735 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1736 C6H8 3-Methylenecyclopentene c930267  
1737 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1738 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1739 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1740 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1741 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1742 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1743 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1744 C6H10 1,5-Hexadiene c592427  
1745 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1746 C6H10 1-Hexyne hexyne1  
1747 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1748 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1749 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1750 C6H10 2-Hexyne c764352  
1751 C6H10 3-Hexyne hexyne3  
1752 C6H10 cyclohexene cyclohexene  
1753 C6H10 Cyclopentene, 1-methyl- c693890  
1754 C6H10 Cyclopentene, 3-methyl- c1120623  
1755 C6H10 Cyclopentene, 4-methyl- c1759815  
1756 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1757 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1758 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1759 C6H12 (E)-2-Hexene e2hexene  
1760 C6H12 (E)-3-methylpent-2-ene c616126  
1761 C6H12 (E)-hex-3-ene e3hexene  
1762 C6H12 (Z)-3-methylpent-2-ene c922623  
1763 C6H12 (Z)-hex-2-ene z2hexene  
1764 C6H12 (Z)-hex-3-ene z3hexene  
1765 C6H12 2,3-dimethylbut-1-ene c563780  
1766 C6H12 2,3-dimethyl-but-2-ene tmeet  
1767 C6H12 3-methylenepentane c760214  
1768 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1769 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1770 C6H12 Cyclohexane cyclohexane  
1771 C6H12 Cyclopentane, methyl- c96377  
1772 C6H12 Ethylcyclobutane c4806615  
1773 C6H12 hex-1-ene hexene1  
1774 C6H14 Butane, 2,2-dimethyl- buta22  
1775 C6H14 Butane, 2,3-dimethyl- buta23  
1776 C6H14 Hexane hexane  
1777 C6H14 Pentane, 2-methyl- penta2  
1778 C6H14 Pentane, 3-methyl- penta3  
1779 C4N2 2-Butynedinitrile c4n2  
1780 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1781 C4H2N2 Fumaronitrile c4h2n2  
1782 C2H2N4 sym-tetrazine ttz  
1783 C3H3N3 1,3,5-Triazine triazine135  
1784 CH3N5 5-Aminotetrazole c4418615  
1785 C4H4N2 1,3-Diazine diazine13  
1786 C4H4N2 Pyrazine pyrazine  
1787 C4H4N2 Pyridazine pyridazine  
1788 C4H4N2 Succinonitrile c110612  
1789 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1790 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1791 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1792 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1793 C5H5N E-2,4-pentadienenitrile bdcn  
1794 C5H5N Pyridine pyridine  
1795 B3N3H6 borazine borazine  
1796 C6H6 Fulvene fulvene  
1797 C5H6N+ Pyridinium c5h6n  
1798 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1799 C5H7N (E)-2-Pentenenitrile c26294984  
1800 C5H7N (E)-3-Pentenenitrile c16529661  
1801 C5H7N (Z)-2-Pentenenitrile c25899507  
1802 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1803 C5H7N Cyclobutanecarbonitrile c4426113  
1804 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1805 C5H9N Butanenitrile, 2-methyl- c18936179  
1806 C5H9N Pentanenitrile c110598  
1807 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1808 C6H10 Bicyclo[3.1.0]hexane c285585  
1809 C5H11N Cyclopentanamine cypentam  
1810 C5H11N Piperidine piper  
1811 C4H12N2 1,2-Butanediamine c4426486  
1812 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1813 Li2CO3 Lithium Carbonate li2co3  
1814 Na2CO3 Sodium Carbonate na2co3  
1815 C2O4-- oxalate anion c2o4  
1816 MgSO4 Magnesium Sulfate mgso4  
1817 N2O4 Dinitrogen tetroxide n2o4  
1818 C3H2O3 vinylene carbonate vica  
1819 C2H2O4 Oxalic Acid oxalic  
1820 C2H3NO3 Oxamic acid oxamic  
1821 C4H4O2 2(5H)-Furanone furanone  
1822 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1823 C2H4N2O2 Oxalamide oxalamide  
1824 C2H4N2S2 Ethanedithioamide c79403  
1825 C2H4CO3 Ethylene carbonate etco3  
1826 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1827 C3H4S3 1,3-Dithiolane-2-thione c822388  
1828 C2H4O4 Formic acid dimer fadimer  
1829 C4H5NO 3-Methylisoxazole isox3m  
1830 C4H5NO Isoxazole, 5-methyl- c5765446  
1831 C4H5NS 4-Methylthiazole c693958  
1832 C2H5NO3 Nitric acid, ethyl ester c625581  
1833 C5H6O 2H-Pyran pyran2  
1834 C5H6O 2-methylfuran furan2m  
1835 C5H6O 3-Methylfuran furan3m  
1836 C5H6O Pentadienal pdal  
1837 C5H6S Thiophene, 2-methyl- c554143  
1838 C5H6S Thiophene, 3-methyl- c616444  
1839 C4H6O2 γ–Butyrolactone c96480  
1840 C4H6O2 2,3-Butanedione c431038  
1841 C4H6O2 2-Propenoic acid, methyl ester c96333  
1842 C4H6O2 Crotonic Acid crot  
1843 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1844 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1845 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1846 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1847 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1848 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1849 C4H6OS Vinyl sulfoxide c1115157  
1850 CH6N4S Carbonothioic dihydrazide thiacarb  
1851 C2H6N2O2 (E)-Azodioxymethane c37765154  
1852 C2H6N2O2 Dimethylnitroamine c4164287  
1853 C3H6O3 1,3,5-Trioxane trioxane  
1854 C3H6S3 1,3,5-Trithiane c3h6s3  
1855 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1856 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1857 C4H7NO 2-Pyrrolidinone c616455  
1858 C4H7NO Ethoxyacetonitrile etoaccn  
1859 C4H7NO Methacrylamide c79390  
1860 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1861 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1862 C3H7ONO Propyl nitrite prono  
1863 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1864 CH3CH(NH2)COOH Alanine alanine  
1865 CH3NHCH2COOH Sarcosine sarcosine  
1866 NH2CH2CH2COOH β–alanine betaalanine  
1867 NH2COOC2H5 Urethane urethane  
1868 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1869 C5H8O Cyclopentanone c120923  
1870 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1871 C5H8O Methyl cyclopropyl ketone c765435  
1872 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1873 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1874 NH2CONHC2H5 Urea, ethyl- c625525  
1875 C4H8O2 1,3-Dioxane dioxan13  
1876 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1877 C4H8O2 1,4-Dioxane dioxan14  
1878 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1879 C4H8O2 Ethyl acetate c141786  
1880 C4H8OS s-Ethyl thioacetate c625605  
1881 C3H8O3 1,2,3-Propanetriol glycerin  
1882 C3H8O2S (Methylsulfonyl)ethane c594434  
1883 C4H9NO Butanamide c541355  
1884 C4H9NO Propanamide, 2-methyl- c563837  
1885 C5H10O 2-Butanone, 3-methyl- c563804  
1886 C5H10O 2H-Pyran, tetrahydro- c142687  
1887 C5H10O 2-methylbutyraldehyde 2meba  
1888 C5H10O 2-Pentanone mpk  
1889 C5H10O 3-Pentanone dek  
1890 C5H10O Cyclopentanol c96413  
1891 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1892 C5H10O Pentanal pal  
1893 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1894 C5H10S 3-Ethylthio-1-propene c5296628  
1895 C5H10S Cyclopentanethiol c1679078  
1896 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1897 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1898 C4H10O2 1,1-Dimethoxyethane c534156  
1899 C4H10O2 1,3-Butanediol budiol13  
1900 C4H10O2 1,4-Butanediol budiol14  
1901 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1902 C4H10OS Diethyl sulfoxide c70291  
1903 C4H10S2 1,4-Butanedithiol budisl14  
1904 C4H11NO Diethylhydroxylamine c3710847  
1905 C5H12O 1-Butanol, 2-methyl- c137326  
1906 C5H12O 1-Butanol, 3-methyl- c123513  
1907 C5H12O 1-Pentanol pentanol1  
1908 C5H12O 2-Butanol, 3-methyl- c598754  
1909 C5H12O 2-Pentanol peol2  
1910 C5H12O 3-Pentanol pentan3ol  
1911 C5H12O Butane, 1-methoxy- meobu  
1912 C5H12O Propane, 1-ethoxy- proet  
1913 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1914 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1915 C5H12S 1-Butanethiol, 3-methyl- c541311  
1916 C5H12S 1-Pentanethiol c110667  
1917 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1918 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1919 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1920 C5H12S Butane, 1-(methylthio)- c628295  
1921 C5H12S Ethyl propyl sulfide c4110503  
1922 C5H12S Propane, 2-(ethylthio)- c5145993  
1923 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1924 C4F2 difluorobutadiyne c4f2  
1925 ClCOClCO Oxalyl chloride oxcl  
1926 CF3CN Acetonitrile, trifluoro- cf3cn  
1927 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1928 B2F4 Diboron tetrafluoride b2f4  
1929 B2Cl4 Diboron tetrachloride b2cl4  
1930 C2F4 Tetrafluoroethylene c2f4  
1931 C2F4+ Tetrafluoroethylene cation c2f4+  
1932 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1933 CF2CCl2 difluorodichloroethylene cf2ccl2  
1934 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1935 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1936 C2FCl3 fluorotrichloroethene c2fcl3  
1937 C2Cl4 Tetrachloroethylene c2cl4  
1938 C2Br4 tetrabromoethene c2br4  
1939 CF3OF Trifluoromethylhypofluorite cf3of  
1940 SiF5- silicon pentafluoride anion sif5-  
1941 SOF4 Sulfur tetrafluoride oxide sof4  
1942 PF5 Phosphorus pentafluoride pf5  
1943 AsF5 Arsenic pentafluoride asf5  
1944 PCl5 Phosphorus pentachloride pcl5  
1945 SF5 Sulfur pentafluoride sf5  
1946 SF5+ pentafluoro sulfur cation sf5+  
1947 SbCl5 Antimony pentachloride sbcl5  
1948 BrF5 bromine pentafluoride brf5  
1949 ClF5 chlorinepentafluoride clf5  
1950 IF5 pentafluoroiodine if5  
1951 CF3CHO trifluoroacetaldehyde cf3cho  
1952 CCl3CHO trichloroacetaldehyde ccl3cho  
1953 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1954 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1955 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1956 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1957 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1958 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1959 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1960 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1961 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1962 CF3COOH trifluoroacetic acid cf3cooh  
1963 C4H3ClO Furan, 2-chloro fur2cl  
1964 C4H3ClO Furan,3-chloro fur3cl  
1965 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1966 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1967 C4H8Cl2 1,4-Dichlorobutane c110565  
1968 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1969 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1970 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1971 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1972 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1973 C5H11Cl Pentane, 1-chloro- pencl1  
1974 C4H8O2 Butanoic acid bua  
1975 C6H5CH2 benzyl radical benzyl  
1976 C7H7 cycloheptatrienyl radical c7h7  
1977 C7H7+ cycloheptatrienyl cation c7h7+  
1978 C6H5CH3 toluene toluene  
1979 C7H8 cycloheptatriene cht  
1980 C7H8 Norbornadiene norbor  
1981 C7H8 Quadricyclane qucy  
1982 C7H12 Norbornane nor  
1983 C7H14 cycloheptane c7h14  
1984 C7H16 2-methylhexane 2mhex  
1985 C7H16 3-methylhexane hex3m  
1986 C7H16 heptane heptane  
1987 CH(CN)3 tricyanomethane mecn3  
1988 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1989 C6H7N 2-Methylpyridine mp  
1990 C6H5NH2 aniline aniline  
1991 C6H13N 2-Methylpiperidine pip2m  
1992 C6H13N cyclohexanamine cham  
1993 C6H15N triethylamine tea  
1994 N2O5 Dinitrogen pentoxide n2o5  
1995 C4H2O3 Maleic Anhydride malan  
1996 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1997 C5H4O2 furfural furfural  
1998 C6H5O phenoxy radical phenoxy  
1999 C5H5NO 2(1H)-Pyridinone c72762006  
2000 C5H5NO 2(3H)-Pyridinone c9000048  
2001 C5H5NO 2(5H)-Pyridinone c9000037  
2002 C5H5NO 2-Pyridinol c109104  
2003 C5H5NO 3(2H)-Pyridinone c9000004  
2004 C5H5NO 3(4H)-Pyridinone c9000026  
2005 C5H5NO 3(6H)-Pyridinone c9000015  
2006 C5H5NO 3-Pyridinol c109002  
2007 C5H5NO 4(1H)-Pryidinone c9000060  
2008 C5H5NO 4(3H)-Pryidinone c9000059  
2009 C5H5NO 4-Pyridinol c626642  
2010 C6H5OH phenol phenol  
2011 C6H6O 2,4-Cyclohexadienone c24599573  
2012 C6H6O 2,5-Cyclohexadienone c5664335  
2013 C6H5SH Benzenethiol phsh  
2014 HO2CCHNH2CH2OH Serine serine  
2015 C5H8O2 Acetylacetone acac  
2016 C4H8O2S Sulfolane sulfolane  
2017 C7H10 Norbornene norbornene  
2018 CH(C2H3)3 trivinyl methane tvm  
2019 C6H10O cyclohexanone chexo  
2020 C6H12O hexanal c6h12o  
2021 C6H12O Oxepane oxepane  
2022 C3H7OC3H7 di-n-propyl ether propr  
2023 F2CCCF2 tetrafluoroallene pfa  
2024 CF3COO- trifluoro acetate anion cf3coo-  
2025 CF3COF trifluoroacetyl fluoride cf3cof  
2026 CF3COCl trifluoroacetyl chloride cf3cocl  
2027 PF6 Hexafluorophosphate neutral pf6  
2028 PF6- Hexafluorophosphate ion pf6-  
2029 SF6 Sulfur Hexafluoride sf6  
2030 SeF6 Selenium hexafluoride sef6  
2031 SF5Cl sulfur chloropentafluoride sf5cl  
2032 CF3CHF2 pentafluoroethane cf3chf2  
2033 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2034 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2035 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2036 CCl3CHCl2 pentachloroethane ccl3chcl2  
2037 C6H5F Fluorobenzene bzf  
2038 C6H5Cl chlorobenzene bzcl  
2039 C6H5Br bromobenzene bzbr  
2040 C8H6 Calicene calicene  
2041 C6H5CCH phenylacetylene phac  
2042 C8H6 benzocyclobutadiene bcbd  
2043 C8H6 Pentalene pentalene  
2044 C6H5CHCH2 Styrene styrene  
2045 C8H8 cubane cubane  
2046 C8H8 cyclooctatetraene cot  
2047 C6H5CH2CH3 Ethylbenzene etbz  
2048 CH3C6H4CH3 meta-xylene mxylene  
2049 CH3C6H4CH3 paraxylene pxylene  
2050 C8H14 Bicyclo[2.2.2]octane bico222  
2051 C8H16 cyclooctane cyclooct  
2052 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2053 C8H18 Octane c8h18  
2054 C6H5CN phenyl cyanide phcn  
2055 C6H12N2 Triethylenediamine ted  
2056 C4O4-- squarate dianion c4o4--  
2057 S4N4 Tetrasulfur tetranitride s4n4  
2058 S8 Octasulfur s8  
2059 C6H4O2 parabenzoquinone pbq  
2060 C4H4N2O2 Uracil uracil  
2061 C6H5CHO benzaldehyde benzal  
2062 C6H5OCH3 Anisole anisole  
2063 C5H9NO2 Proline proline  
2064 C6H12O2 Methyl pivalate c598981  
2065 C6H12O2 Hexanoic acid hexa  
2066 C4F4 tetrafluorcyclobutadiene c4f4  
2067 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2068 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2069 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2070 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2071 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2072 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2073 C2F6 hexafluoroethane c2f6  
2074 C2Cl6 hexachloroethane c2cl6  
2075 IF7 Iodine heptafluoride if7  
2076 C6H4F2 metadifluorobenzene mdfb  
2077 C6H4F2 orthodifluorobenzene odfb  
2078 C6H4F2 1,4-difluorobenzene pdfb  
2079 C6H4Cl2 1,2-dichlorobenzene dcb12  
2080 C6H4Cl2 1,3-dichlorobenzene dcb13  
2081 C6H4Cl2 1,4-dichlorobenzene dcb14  
2082 C6H5NO nitrosobenzene bzno  
2083 C9H8 Indene indene  
2084 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2085 C9H12 n-propyl benzene prbz  
2086 C9H20 Nonane nonane  
2087 C(CN)4 tetracyanomethane c5n4  
2088 C5H4N4 purine purine  
2089 C8H7N Indole indole  
2090 C3H3N3O3 cyanuric acid cyanuric  
2091 C6H5NO2 Nitrobenzene c6h5no2  
2092 C6H5COOH benzoic acid benzo  
2093 CH3COC6H5 acetophenone acph  
2094 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2095 C3F6 hexafluoropropene c3f6  
2096 C6H3F3 Benzene trifluoride 123 bzf3a  
2097 C8H18O 1-Octanol octanol  
2098 C10H8 Azulene azu  
2099 C10H8 naphthalene naph  
2100 C10H10 bullvalene bullv  
2101 C10H16 adamantane adamantane  
2102 C6N4 Tetracyanoethylene tcne  
2103 C6N4- tetracyanoethylene anion tcne-  
2104 C10H22 Decane decane  
2105 C4F6 perfluorobutadiene c4f6  
2106 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2107 C3F8 perfluoropropane c3f8  
2108 Fe(CO)5 Iron pentacarbonyl ipc  
2109 Fe(C5H5)2 ferrocene fecp2  
2110 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2111 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2112 C12H8 Acenaphthylene acenaph  
2113 C12H8 biphenylene biph  
2114 C12H10 biphenyl biphenyl  
2115 C12H10 Heptalene heptalene  
2116 C6H12O6 Inositol inositol  
2117 C6F6 hexafluorobenzene c6f6  
2118 S2F10 disulphur decafluoride s2f10  
2119 C13H10 Fluorene fluorene  
2120 C14H10 Anthracene anth  
2121 C14H10 Phenanthrene phenanthrene  
2122 C14H14 Bibenzyl bibenzyl  
2123 C12H10N2 azobenzene azobenzene  
2124 C6H5COC6H5 benzophenone benzophenone  
2125 C16H10 Pyrene pyrene  
2126 C18H12 Tetracene tetracene  
2127 C19H16 Triphenylmethane tpm  
2128 C24H12 Coronene coronene  
2129 C60 Buckminsterfullerene c60