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(T)=FULL /CEP-31G

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 Li Lithium atom 2SKh
3 Na Sodium atom 2SKh
4 LiH Lithium Hydride 1ΣC∞v
5 Be Beryllium atom 1SKh
6 Be+ Beryllium atom cation 2SKh
7 Mg Magnesium atom 1SKh
8 Mg+ Magnesium atom cation 2SKh
9 B Boron atom 2PKh
10 B Boron atom 4PKh
11 B+ Boron atom cation 1SKh
12 Al Aluminum atom 2PKh
13 Al+ Aluminum atom cation 1SKh
14 C Carbon atom 3P0Kh
15 C Carbon atom 3P1Kh
16 C+ Carbon atom cation 2PKh
17 Si Silicon atom 3PKh
18 Si Silicon atom 1SKh
19 Si+ Silicon atom cation 2PKh
20 CH4 Methane 1A1Td
21 N Nitrogen atom 4SKh
22 N Nitrogen atom 2DKh
23 N+ Nitrogen atom cation 3PKh
24 P Phosphorus atom 4SKh
25 NH3 Ammonia 1A1C3v
26 O Oxygen atom 3SKh
27 O+ Oxygen atom cation 4SKh
28 S Sulfur atom 3PKh
29 OH Hydroxyl radical 2ΠC∞v
30 H2O Water 1A1C2v
31 F Fluorine atom 2PKh
32 F+ Fluorine atom cation 3SKh
33 Cl Chlorine atom 2PKh
34 Cl+ Chlorine atom cation 3PKh
35 HF Hydrogen fluoride 1ΣC∞v
36 HCl Hydrogen chloride 1ΣC∞v
37 Ne Neon atom 1SKh
38 Ne+ Neon atom cation 2PKh
39 Ar Argon atom 1SKh
40 Na2 Sodium diatomic 1ΣgD∞h
41 C2H2 Acetylene 1ΣgD∞h
42 C2H4 Ethylene 1AgD2h
43 C2H6 Ethane 1A1gD3d
44 N2 Nitrogen diatomic 1ΣgD∞h
45 CO Carbon monoxide 1ΣC∞v
46 NO Nitric oxide 2ΠC∞v
47 O2 Oxygen diatomic 3ΣgD∞h
48 H2CO Formaldehyde 1A1C2v
49 BF Boron monofluoride 1ΣC∞v
50 F2 Fluorine diatomic 1ΣgD∞h
51 Cl2 Chlorine diatomic 1ΣgD∞h
52 IF Iodine monofluoride 1ΣC∞v
53 ICl Iodine monochloride 1ΣC∞v
54 IBr Iodine monobromide 1ΣC∞v
55 C3H5 Allyl radical 2A2C2v
56 C3H6 Cyclopropane 1A1'D3h
57 CH2CHCH3 Propene 1A'Cs
58 CO2 Carbon dioxide 1ΣgD∞h
59 SO2 Sulfur dioxide 1A1C2v
60 BF3 Borane, trifluoro- 1A'D3h
61 AlF3 Aluminum trifluoride 1A1'D3h

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He Helium atom he  
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 anion li-  
19 Li+ Lithium atom cation li+  
20 Na- Sodium atom anion na-  
21 Na+ Sodium atom cation na+  
22 K Potassium atom k  
23 K- Potassium atom anion k-  
24 K+ Potassium atom cation k+  
25 Cu Copper atom cu  
26 Cu- Copper atom anion cu-  
27 Cu+ Copper atom cation cu+  
28 LiH- lithium hydride anion lih-  
29 LiH+ lithium hydride cation lih+  
30 NaH sodium hydride nah  
31 NaH- sodium hydride anion nah-  
32 NaH+ sodium hydride cation nah+  
33 KH Potassium hydride kh  
34 KH+ Potassium hydrogen cation kh+  
35 CuH Copper monohydride cuh  
36 Be- Beryllium atom anion be-  
37 Mg- Magnesium atom anion mg-  
38 Ca Calcium atom ca  
39 Ca- Calcium atom anion ca-  
40 Ca+ Calcium atom cation ca+  
41 Zn Zinc atom zn  
42 Zn- Zinc atom anion zn-  
43 Zn+ Zinc atom cation zn+  
44 BeH beryllium monohydride beh  
45 BeH- berylium monohydride anion beh-  
46 BeH+ beryllium monohydride cation beh+  
47 MgH magnesium monohydride mgh  
48 MgH- magnesium monohydride anion mgh-  
49 MgH+ magnesium monohydride cation mgh+  
50 CaH Calcium monohydride cah  
51 CaH+ Calcium monohydride cation cah+  
52 TiH Titanium monohydride tih  
53 ZnH Zinc monohydride znh  
54 ZnH+ Zinc, protonated znh+  
55 BeH2 beryllium dihydride beh2  
56 BeH2+ Beryllium dihydride cation beh2+  
57 MgH2 magnesium dihydride mgh2  
58 CaH2 Calcium Hydride cah2  
59 ZnH2 Zinc hydride znh2  
60 B- Boron atom anion b-  
61 Al- Aluminum atom anion al-  
62 Sc Scandium atom sc  
63 Sc+ Scandium cation sc+  
64 Ga Gallium atom ga  
65 Ga- Gallium atom anion ga-  
66 Ga+ Gallium atom cation ga+  
67 BH Boron monohydride bh  
68 BH- boron monohydride anion bh-  
69 BH+ boron monohydride cation bh+  
70 AlH aluminum monohydride alh  
71 AlH- aluminum monohydride anion alh-  
72 AlH+ aluminum monohydride cation alh+  
73 ScH Scandium monohydride sch  
74 ScH+ Scandium monohydride cation sch+  
75 GaH Gallium monohydride gah  
76 GaH+ Gallium monohydride cation gah+  
77 BH2 boron dihydride bh2  
78 BH2- boron dihydride anion bh2-  
79 BH2+ Boron dihydride cation bh2+  
80 AlH2 aluminum dihydride alh2  
81 AlH2- aluminum dihydride anion alh2-  
82 AlH2+ aluminum dihydride cation alh2+  
83 BH3 boron trihydride bh3  
84 BH3- boron trihydride anion bh3-  
85 BH3+ boron trihydride cation bh3+  
86 AlH3 aluminum trihydride alh3  
87 AlH3- aluminum trihydride anion alh3-  
88 AlH3+ aluminum trihydride cation alh3+  
89 ScH3 Scandium trihydride sch3  
90 GaH3 Gallium trihydride gah3  
91 BH4 borohydride bh4  
92 BH4- borohydride anion bh4-  
93 AlH4- Aluminum tetrahydride anion alh4-  
94 C- Carbon atom anion c-  
95 Si- Silicon atom anion si-  
96 Ti Titanium atom ti  
97 Ti- Titanium atom anion ti-  
98 Ti+ Titanium atom cation ti+  
99 Ge Germanium atom ge  
100 Ge- Germanium anion ge-  
101 Ge+ Germanium cation ge+  
102 Sn Tin atom sn  
103 Sn+ Tin cation sn+  
104 CH Methylidyne ch  
105 CH- methylidyne anion ch-  
106 CH+ Methylidyne cation ch+  
107 SiH Silylidyne sih  
108 SiH- silicon monohydride anion sih-  
109 SiH+ silicon monohydride cation sih+  
110 GeH germylidene geh  
111 GeH+ Germaniun monohyrdide cation geh+  
112 CH2 Methylene ch2  
113 CH2- methylene anion ch2-  
114 CH2+ methylene cation ch2+  
115 SiH2 silicon dihydride sih2  
116 SiH2- silicon dihydride anion sih2-  
117 SiH2+ silicon dihydride cation sih2+  
118 GeH2 germylene geh2  
119 GeH2- germylene anion geh2-  
120 CH3 Methyl radical ch3  
121 CH3- methyl anion ch3-  
122 CH3+ methyl cation ch3+  
123 SiH3 Silyl radical sih3  
124 SiH3- Silyl anion sih3-  
125 SiH3+ Silyl cation sih3+  
126 GeH3 Germyl radical geh3  
127 GeH3+ germyl cation geh3+  
128 CD4 methane-d4 cd4  
129 CH2D2 methane-d2 ch2d2  
130 CH3D methane-d ch3d  
131 CH4- Methane anion ch4-  
132 CH4+ Methane cation ch4+  
133 CHD3 methane-d3 chd3  
134 SiH2D2 silane-d2 sih2d2  
135 SiH4 Silane sih4  
136 SiH4+ Silane cation sih4+  
137 GeH4 Germane geh4  
138 SnH4 Stannane snh4  
139 SiH5+ Silane, protonated sih5+  
140 N- Nitrogen atom anion n-  
141 P- Phosphorus atom anion p-  
142 P+ Phosphorus atom cation p+  
143 V Vanadium atom v  
144 V+ Vanadium atom cation v+  
145 As Arsenic atomic as  
146 As- Arsenic anion as-  
147 As+ Arsenic cation as+  
148 Sb Antimony atom sb  
149 NH Imidogen nh  
150 NH- Imidogen anion nh-  
151 NH+ imidogen cation nh+  
152 PH phosphorus monohydride ph  
153 PH- phosphorus monohydride anion ph-  
154 PH+ phosphorus monohydride cation ph+  
155 AsH Arsenic monohydride ash  
156 AsH+ Arsenic monohydride cation ash+  
157 SbH Antimony monohydride sbh  
158 ND2 Amidogen-d2 nd2  
159 NH2 Amino radical nh2  
160 NH2- amino anion nh2-  
161 NH2+ Amino cation nh2+  
162 PH2 Phosphino radical ph2  
163 PH2- Phosphino anion ph2-  
164 PH2+ Phosphino cation ph2+  
165 AsH2 Arsenic dihydride ash2  
166 AsH2+ Arsenic dihydride cation ash2+  
167 ND3 Ammonia-d3 nd3  
168 NH3- Ammonia anion nh3-  
169 NH3+ ammonia cation nh3+  
170 PH3 Phosphine ph3  
171 PH3+ Phosphine cation ph3+  
172 AsH3 Arsine ash3  
173 AsH3+ Arsine cation ash3+  
174 SbH3 Stibine sbh3  
175 AsH4+ Arsonium ash4+  
176 NH4 Ammonium radical nh4  
177 NH4+ ammonium cation nh4+  
178 PH4 Phosphoranyl radical ph4  
179 PH4+ phosphonium cation ph4+  
180 O- Oxygen atom anion o-  
181 S- Sulfur atom anion s-  
182 S+ Sulfur atom cation s+  
183 Cr Chromium atom cr  
184 Se Selenium atom se  
185 Se- Selenium atom anion se-  
186 Se+ Selenium atom cation se+  
187 Te Tellurium atom te  
188 Te+ Tellurium atom cation te+  
189 DO Hydroxyl-d od  
190 OH- hydroxide anion oh-  
191 OH+ hydoxyl cation oh+  
192 DS Mercapto-d ds  
193 HS Mercapto radical hs  
194 HS- mercapto anion sh-  
195 HS+ sulfur monohydride cation sh+  
196 CrH Chromium hydride crh  
197 CrH+ Chromium hydride cation crh+  
198 HSe Selenium monohydride hse  
199 HSe- selenium monohydride anion hse-  
200 HSe+ selenium monohydride cation hse+  
201 TeH Telluryl radical teh  
202 D2O Deuterium oxide d2o  
203 H2O- water anion h2o-  
204 H2O+ water cation h2o+  
205 HDO Water-d1 hdo  
206 D2S Hydrogen sulfide-d2 d2s  
207 H2S Hydrogen sulfide h2s  
208 H2S- Hydrogen sulfide anion h2s-  
209 H2S+ Hydrogen sulfide cation h2s+  
210 H2Se Hydrogen selenide h2se  
211 H2Se+ Hydrogen selenide cation h2se+  
212 H2Te Hydrogen Telluride h2te  
213 H3O+ hydronium cation h3o+  
214 H3S+ Sulfonium cation h3s+  
215 H3Se+ Hydrogen Selenide, protonated h3se+  
216 F- Fluorine atom anion f-  
217 Cl- Chlorine atom anion cl-  
218 Mn Manganese atom mn  
219 Br Bromine atom br  
220 Br- Bromine atom anion br-  
221 Br+ Bromine atom cation br+  
222 I Iodine atom iodine  
223 I- Iodine atom anion iodine-  
224 I+ Iodine atom cation iodine+  
225 DF Hydrofluoric acid-d df  
226 HF- hydrogen fluoride anion hf-  
227 HF+ hydrogen fluoride cation hf+  
228 DCl Hydrochloric acid-d dcl  
229 HCl- hydrogen chloride anion hcl-  
230 HCl+ hydrogen chloride cation hcl+  
231 HBr hydrogen bromide hbr  
232 HBr- hydrogen bromide anion hbr-  
233 HBr+ hydrogen bromide cation hbr+  
234 HI Hydrogen iodide hi  
235 HI+ Hydrogen iodide cation hi+  
236 H2F+ dihydrogen fluoride cation h2f+  
237 H2Cl+ dihydrogen monochloride cation h2cl+  
238 H2Br+ protonated hydrogen bromide h2br+  
239 H2I+ Iodonium h2i+  
240 Ne- Neon atom anion ne-  
241 Ar- Argon atom anion ar-  
242 Ar+ Argon atom cation ar+  
243 Fe Iron atom fe  
244 Kr Krypton atom kr  
245 Kr+ Krypton cation kr+  
246 Xe Xenon atom xe  
247 HeLi+ Helium Lithium cation heli+  
248 NeH neon hydrogen neh  
249 NeH+ neon hydrogen cation neh+  
250 ArH+ Argon hydride cation arh+  
251 KrH+ Protonated Krypton krh+  
252 XeH+ Xenon, protonated xeh+  
253 H2Ar H2 Ar dimer h2ar  
254 Co Cobalt atom cobalt  
255 Ni Nickel atom ni  
256 Li2 Lithium diatomic li2  
257 Li2- lithium diatomic anion li2-  
258 Li2+ lithium diatomic cation li2+  
259 NaLi lithium sodium lina  
260 NaLi- lithium sodium anion lina-  
261 NaLi+ lithium sodium cation lina+  
262 LiK Lithium Potassium lik  
263 Na2- sodium diatomic anion na2-  
264 Na2+ sodium diatomic cation na2+  
265 NaK Sodium Potassium nak  
266 NaK+ Sodium Potassium diatomic cation nak+  
267 K2 Potassium diatomic k2  
268 Cu2 Copper diatomic cu2  
269 LiBe Lithium Beryllium libe  
270 LiMg Lithium magnesium limg  
271 NaBe Sodium Beryllium nabe  
272 NaMg Sodium Magnesium namg  
273 Be2 Beryllium diatomic be2  
274 Be2- Beryllium diatomic anion be2-  
275 Be2+ Beryllium diatomic cation be2+  
276 BeMg Beryllium Magnesium bemg  
277 Mg2 Magnesium diatomic mg2  
278 Mg2- magnesium diatomic anion mg2-  
279 Mg2+ magnesium diatomic cation mg2+  
280 Ca2 Calcium diatomic ca2  
281 LiB Lithium boride lib  
282 LiAl Lithium Aluminum lial  
283 NaAl Sodium aluminum naal  
284 BeB Beryllium monoboride beb  
285 B2 Boron diatomic b2  
286 B2- Boron diatomic anion b2-  
287 B2+ Boron diatomic cation b2+  
288 BAl Boron Aluminum bal  
289 Al2 Aluminum diatomic al2  
290 Al2- aluminum diatomic anion al2-  
291 Al2+ aluminum diatomic cation al2+  
292 BGa Boron Gallium bga  
293 AlGa Aluminum Gallium alga  
294 Ga2 Gallium diatomic ga2  
295 HBBH Diborane(2) hbbh  
296 LiBH4 Lithium borohydride libh4  
297 B2H4 Diborane(4) D2d b2h4  
298 HBHHBH Diborane(4) C2V hbhhbh  
299 B2H6 Diborane b2h6  
300 B2H6+ Diborane cation b2h6  
301 Al2H6 dialane al2h6  
302 Ga2H6 digallane ga2h6  
303 LiC Lithium Carbide lic  
304 BeC Beryllium Carbide bec  
305 CaC Calcium monocarbide cac  
306 BC boron monocarbide bc  
307 BC- boron monocarbide anion bc-  
308 BC+ boron monocarbide cation bc+  
309 AlC Aluminum carbide alc  
310 BSi Boron silicide bsi  
311 C2 Carbon diatomic c2  
312 C2- carbon diatomic anion c2-  
313 C2+ carbon diatomic cation c2+  
314 SiC silicon monocarbide sic  
315 SiC- silicon monocarbide anion sic-  
316 SiC+ silicon monocarbide cation sic+  
317 Si2 Silicon diatomic si2  
318 Si2- silcon diatomic anion si2-  
319 Si2+ silcon diatomic cation si2+  
320 GeC Germanium monocarbide gec  
321 SiGe Silicon Germanium sige  
322 Ge2 Germanium diatomic ge2  
323 C2H Ethynyl radical c2h  
324 C2H- Ethynyl anion c2h-  
325 C2H+ Ethynyl cation c2h+  
326 ZnCH2 Zinc methylene znch2  
327 C2H2+ acetylene cation c2h2+  
328 CCH2 vinylidene vinylidene  
329 H2CC- vinylidene anion h2cc-  
330 HCCH- acetylene anion c2h2-  
331 Si2H2 disilyne si2h2  
332 CH3Li methyl lithium ch3li  
333 CuCH3 monomethyl copper cuch3  
334 ZnCH3 Zinc monomethyl znch3  
335 CH2BH methyleneborane ch2bh  
336 C2H3 vinyl c2h3  
337 C2H3- vinyl anion c2h3-  
338 C2H3+ vinyl cation c2h3+  
339 C2H4- Ethylene anion c2h4-  
340 C2H4+ Ethylene cation c2h4+  
341 CH3CH methylmethylene ch3ch  
342 CH2SiH2 silaethylene ch2sih2  
343 Si2H4 Disilene si2h4  
344 CH3BH2 methylborane ch3bh2  
345 C2H5 Ethyl radical c2h5  
346 C2H5- Ethyl anion c2h5-  
347 C2H5+ Ethyl cation c2h5+  
348 C2H6+ ethane cation c2h6+  
349 CH3SiH3 methyl silane ch3sih3  
350 Si2H6 disilane si2h6  
351 GeH3CH3 methyl germane geh3ch3  
352 C2H7+ Ethane, protonated c2h7+  
353 LiN Lithium Nitride lin  
354 LiN+ Lithium Nitride cation lin+  
355 LiP Lithium monophosphide lip  
356 BeN Beryllium mononitride ben  
357 BeN- Beryllium mononitride anion ben-  
358 BeN+ Beryllium mononitride cation ben+  
359 MgN Magnesium Nitride mgn  
360 BN- boron nitride anion bn-  
361 AlN- aluminum mononitride anion aln-  
362 AlN+ aluminum mononitride cation aln+  
363 BP Boron monophosphide bp  
364 AlP Aluminum monophosphide alp  
365 GaN Gallium mononitride gan  
366 GaP Gallium monophosphide gap  
367 GaAs Gallium arsenide gaas  
368 BN boron nitride bn  
369 BN+ boron nitride cation bn+  
370 AlN Aluminum nitride aln  
371 CN Cyano radical cn  
372 CN- cyanide anion cn-  
373 CN+ Cyano cation cn+  
374 CP Carbon monophosphide cp  
375 CP- carbon monophosphide anion cp-  
376 CP+ carbon monophosphide cation cp+  
377 SiN Silicon nitride sin  
378 SiN- silicon mononitride anion sin-  
379 SiN+ silicon mononitride cation sin+  
380 SiP Silicon monophosphide sip  
381 SiP- Silicon monophosphide anion sip-  
382 SiP+ Silicon monophosphide cation sip+  
383 TiN Titanium mononitride tin  
384 N2- nitrogen diatomic anion n2-  
385 N2+ diatomic nitrogen cation n2+  
386 PN Phosphorus mononitride pn  
387 PN- phosphorus nitride anion pn-  
388 PN+ phosphorus nitride cation pn+  
389 P2 Phosphorus diatomic p2  
390 P2- phosphorus diatomic anion p2-  
391 P2+ phosphorus diatomic cation p2+  
392 AsN Arsenic mononitride asn  
393 AsP Arsenic monophosphide asp  
394 SbN Antimony nitride sbn  
395 As2 Arsenic diatomic as2  
396 HNB hydrogen nitrogen boron hnb  
397 HNC hydrogen isocyanide hnc  
398 HCN Hydrogen cyanide hcn  
399 HCN- Hydrogen cyanide anion hcn-  
400 HCN+ hydrogen cyanide cation hcn+  
401 HNC+ hydrogen isocyanide cation hnc+  
402 HCP Phosphaethyne hcp  
403 HCP+ Phosphaethyne cation hcp+  
404 NNH Dinitrogen monohydride nnh  
405 NNH+ Dinitrogen monohydride cation nnh+  
406 HPO Hydrogen phosphorus oxide hpo  
407 HPO+ Hydrogen phosphorus oxide cation hpo+  
408 LiNH2 lithium amide linh2  
409 HBNH Boranimine hbnh  
410 CNH2 Aminomethylidyne radical cnh2  
411 CNH2+ N-protonated hydrogen isocyanide cnh2+  
412 H2CN Dihydrogen cyanide radical h2cn  
413 H2CN+ hydrocyanonium cation h2cn+  
414 HCNH methyleneazane hcnh  
415 HCNH+ N-protonated HCN hcnh+  
416 H2NN Isodiazene h2nn  
417 N2H2 (E)-diazene n2h2  
418 N2H2 (Z)-Diazene n2h2z  
419 N2H2+ trans-diazene cation n2h2+  
420 CH2NH Methanimine ch3n  
421 CH2NH+ Methanimine cation ch2nh+  
422 CHNH2 aminomethylene chnh2  
423 CHNH2+ Aminocarbene cation chnh2+  
424 CH2PH Phosphaethene ch3p  
425 BH2NH2 Boranamine bh2nh2  
426 CH2NH2+ methyleneamine cation ch2nh2+  
427 N2H4 Hydrazine n2h4  
428 N2H4+ hydrazine cation n2h4+  
429 P2H4 Diphosphine p2h4  
430 CH3NH2 methyl amine ch3nh2  
431 CH3NH2+ methyl amine cation ch3nh2+  
432 CH3PH2 Methyl phosphine ch3ph2  
433 SiH3NH2 Silane, amino sih3nh2  
434 N2H5+ protonated hydrazine n2h5+  
435 BH3PH3 borane phosphine bh3ph3  
436 BH3NH3 borane ammonia bh3nh3  
437 CH3NH3 methyl ammonium radical ch3nh3  
438 CH3NH3+ protonated methylamine ch3nh3+  
439 CH3PH3+ methyl phosphine, protonated ch3ph3+  
440 NH3NH3 Ammonia Dimer nh3nh3  
441 N2H7+ ammonia ammonium dimer n2h7+  
442 LiO lithium oxide lio  
443 LiO- lithium oxide anion lio-  
444 LiO+ lithium oxide cation lio+  
445 LiS Lithium monosulfide lis  
446 LiS+ Lithium sulfide cation lis+  
447 NaO sodium monoxide nao  
448 NaO- sodium oxide anion nao-  
449 NaO+ sodium oxide cation nao+  
450 KO Potassium monoxide ko  
451 KO+ Potassium monoxide cation ko+  
452 NaS Sodium sulfide nas  
453 CuO Copper Monoxide cuo  
454 LiSe Lithium monoselenide lise  
455 BeO beryllium oxide beo  
456 BeO- Beryllium monoxide anion beo-  
457 BeO+ Beryllium monoxide cation beo+  
458 BeS beryllium sulfide bes  
459 MgO magnesium oxide mgo  
460 MgO- magnesium oxide anion mgo-  
461 MgO+ magnesium oxide cation mgo+  
462 CaO Calcium monoxide cao  
463 MgS magnesium sulfide mgs  
464 MgS- magnesium sulfide anion mgs-  
465 MgS+ magnesium sulfide cation mgs+  
466 CaS Calcium sulfide cas  
467 ZnO zinc monoxide zno  
468 ZnS Zinc sulfide zns  
469 BeS- Beryllium monosulfide anion bes-  
470 BeS+ Beryllium monosulfide cation bes+  
471 BO boron monoxide bo  
472 BO- boron monoxide anion bo-  
473 AlO Aluminum monoxide alo  
474 AlO- Aluminum monoxide anion alo-  
475 AlO+ aluminum monoxide cation alo+  
476 BS boron sulfide bs  
477 BS- boron monosulfide anion bs-  
478 BS+ boron monosulfide cation bs+  
479 AlS Aluminum sulfide als  
480 AlS- aluminum monosulfide anion als-  
481 AlS+ aluminum monosulfide cation als+  
482 ScO Scandium monoxide sco  
483 GaO Gallium monoxide gao  
484 GaS Gallium monosulfide gas  
485 BO+ boron monoxide cation bo+  
486 CO- carbon monoxide anion co-  
487 CO+ carbon monoxide cation co+  
488 CS carbon monosulfide cs  
489 CS- carbon monosulfide anion cs-  
490 CS+ carbon monosulfide cation cs+  
491 SiO Silicon monoxide sio  
492 SiO- silicon monoxide anion sio-  
493 SiO+ silicon monoxide cation sio+  
494 SiS silicon monosulfide sis  
495 SiS- silicon monosulfide anion sis-  
496 SiS+ silicon monosulfide cation sis+  
497 TiO Titanium monoxide tio  
498 CSe Carbon monoselenide cse  
499 CSe- Carbon monoselenide anion cse-  
500 CSe+ Carbon monoselenide cation cse+  
501 GeO Germanium monoxide geo  
502 GeO+ Germanium monoxide cation geo+  
503 GeS Germanium monosulfide ges  
504 SiSe Silicon Monoselenide sise  
505 SiSe+ Silicon Monoselenide cation sise+  
506 GeSe Germanium monoselenide gese  
507 NO- nitric oxide anion no-  
508 NO+ nitric oxide cation no+  
509 NS Mononitrogen monosulfide ns  
510 NS- nitrogen sulfide anion ns-  
511 NS+ nitrogen sulfide cation ns+  
512 PO Phosphorus monoxide po  
513 PO- phosphorus monoxide anion po-  
514 PO+ phosphorus monoxide cation po+  
515 PS phosphorus sulfide ps  
516 PS- phosphorus monosulfide anion ps-  
517 PS+ phosphorus monosulfide cation ps+  
518 VO Vanadium monoxide vo  
519 AsO Arsenic monoxide aso  
520 NSe Nitrogen monoselenide nse  
521 AsS Arsenic monosulfide ass  
522 PSe Phosphorus monoselenide pse  
523 AsSe Arsenic monoselenide asse  
524 O2- oxygen diatomic anion o2-  
525 O2-- dioxygen dianion o2--  
526 O2+ diatomic oxygen cation o2+  
527 SO Sulfur monoxide so  
528 SO- sulfur monoxide anion so-  
529 SO+ sulfur monoxide cation so+  
530 S2 Sulfur diatomic s2  
531 S2- sulfur diatomic anion s2-  
532 S2+ sulfur diatomic cation s2+  
533 SeO Selenium monoxide seo  
534 SeO- selenium monoxide anion seo-  
535 SeO+ selenium monoxide cation seo+  
536 SeS Selenium monosulfide ses  
537 SeS- selenium monosulfide anion ses-  
538 SeS+ selenium monosulfide cation ses+  
539 TeO Tellurium monoxide teo  
540 Se2 Selenium diatomic se2  
541 Se2- selenium diatomic anion se2-  
542 Se2+ selenium diatomic cation se2+  
543 Te2 Tellurium diatomic te2  
544 LiOH lithium hydroxide lioh  
545 NaOH sodium hydroxide naoh  
546 KOH Potassium hydroxide koh  
547 BeOH beryllium monohydroxide beoh  
548 MgOH magnesium hydroxide mgoh  
549 CaOH Calcium monohydroxide caoh  
550 HBO Boron hydride oxide hbo  
551 HBS hydrogen boron sulfide hbs  
552 COH Hydroxymethylidyne coh  
553 COH+ Carbon Monoxide, protonated coh+  
554 HCO Formyl radical hco  
555 HCO- formyl anion hco-  
556 HCO+ Formyl cation hco+  
557 HCS Thioformyl radical hcs  
558 HCS- Thioformyl anion hcs-  
559 HCS+ Thioformyl cation hcs+  
560 HNO Nitrosyl hydride hno  
561 HNO- Nitrosyl hydride anion hno-  
562 HNO+ Nitrosyl hydride cation hno+  
563 NOH Hydroxyimidogen noh  
564 NOH+ O-protonated nitric oxide noh+  
565 HNS Sulfur imide hns  
566 HNS- Sulfur imide anion hns-  
567 HO2 Hydroperoxy radical ho2  
568 HO2- Hydroperoxy anion ho2-  
569 HO2+ Hydroperoxy cation ho2+  
570 HSO+ Sulfur Monoxide, S-protonated HSO+  
571 SOH Sulfur Hydroxide soh  
572 SOH+ Sulfur Monoxide, protonated soh+  
573 HS2 Thiosulfeno radical hs2  
574 H2CO- formaldehyde anion h2co-  
575 H2CO+ formaldehyde cation h2co+  
576 HOCH hydroxycarbene hoch  
577 H2CS Thioformaldehyde h2cs  
578 H2CS- thioformaldehyde anion h2cs-  
579 H2CS+ thioformaldehyde cation h2cs+  
580 H2CSe Selenoformaldehyde h2cse  
581 H2NO nitroxide h2no  
582 H2O2 Hydrogen peroxide h2o2  
583 H2O2+ Hydrogen peroxide cation h2o2+  
584 H2OO water oxide h2oo  
585 HOSH hydrogen thioperoxide hosh  
586 H2S2 Disulfane h2s2  
587 H2S2+ hydrogen disulfide cation h2s2+  
588 H2Se2 hydrogen diselenide h2se2  
589 CH2OH Hydroxymethyl radical ch2oh  
590 CH2OH+ hydroxymethyl cation ch2oh+  
591 CH3O Methoxy radical ch3o  
592 CH3O- methoxy anion ch3o-  
593 CH3O+ Methoxy cation ch3o+  
594 CH3S thiomethoxy ch3s  
595 H2CSH+ Thioformaldehyde, protonated h2csh+  
596 NH2OH hydroxylamine nh2oh  
597 NH2OH+ Hydroxylamine cation nh2oh+  
598 NH3O Ammonia Oxide nh3o  
599 H2POH Phosphinous acid h2poh  
600 H3PO Phosphine oxide h3po  
601 NH2SH Thiohydroxylamine nh2sh  
602 NH3S sulfidoazane nh3s  
603 H3O2+ hydrogen peroxide, protonated h3o2+  
604 CH3OH Methyl alcohol ch3oh  
605 CH3OH- Methyl alcohol anion ch3oh-  
606 CH3OH+ Methyl alcohol cation ch3oh+  
607 CH3SH Methanethiol ch3sh  
608 CH3SH+ Methanethiol cation ch3sh+  
609 SiH3OH silanol sih3oh  
610 CH3SeH Methane selenol ch3seh  
611 NH2OH2+ protonated hydroxylamine nh2oh2+  
612 NH3OH+ N-protonated hydroxylamine nh3oh+  
613 H2OH2O water dimer h2oh2o  
614 CH3OH2+ Methanol, protonated ch3oh2+  
615 CH3SH2+ protonated methylsulfide ch3sh2+  
616 H2ONH3 Water Ammonia Dimer h2onh3  
617 H5O2+ Dihydroxonium ion h5o2+  
618 LiF lithium fluoride lif  
619 LiCl lithium chloride licl  
620 LiCl- lithium chloride anion licl-  
621 LiCl+ lithium chloride cation licl+  
622 NaF sodium fluoride naf  
623 NaF- sodium fluoride anion naf-  
624 NaF+ sodium fluoride cation naf+  
625 KF Potassium Fluoride kf  
626 NaCl Sodium Chloride nacl  
627 NaCl- sodium chloride anion nacl-  
628 NaCl+ sodium chloride cation nacl+  
629 KCl Potassium Chloride kcl  
630 CuF Copper monofluoride cuf  
631 LiBr Lithium Bromide libr  
632 LiBr- lithium bromide anion libr-  
633 LiBr+ lithium bromide cation libr+  
634 CuCl Copper monochloride cucl  
635 NaBr Sodium Bromide nabr  
636 NaBr- sodium bromide anion nabr-  
637 NaBr+ sodium bromide cation nabr+  
638 KBr Potassium Bromide kbr  
639 LiI Lithium Iodide lii  
640 NaI Sodium Iodide nai  
641 KI Potassium Iodide ki  
642 LiF- lithium fluoride anion lif-  
643 LiF+ lithium fluoride cation lif+  
644 BeF Beryllium monofluoride bef  
645 BeF- Beryllium monofluoride anion bef-  
646 BeF+ Beryllium monofluoride cation bef+  
647 BeCl beryllium monochloride becl  
648 MgF Magnesium monofluoride mgf  
649 MgF- magnesium fluoride anion mgf-  
650 MgF+ magnesium fluoride cation mgf+  
651 CaF Calcium monofluoride caf  
652 MgCl magnesium monochloride mgcl  
653 MgCl- magnesium monochloride anion mgcl-  
654 MgCl+ magnesium monochloride cation mgcl+  
655 CaCl calcium monochloride cacl  
656 TiCl Titanium Monochloride ticl  
657 ZnF Zinc monofluoride znf  
658 ZnF- Zinc monofluoride anion znf-  
659 ZnF+ Zinc monofluoride cation znf+  
660 ZnCl Zinc monochloride zncl  
661 CaBr Calcium monobromide cabr  
662 BeCl- beryllium monochloride anion becl-  
663 BeCl+ beryllium monochloride cation becl+  
664 BF- Boron monofluoride anion bf-  
665 BF+ Boron monofluoride cation bf+  
666 AlF Aluminum monofluoride alf  
667 AlF- Aluminum monofluoride anion alf-  
668 AlF+ Aluminum monofluoride cation alf+  
669 BCl boron monochloride bcl  
670 BCl- boron monochloride anion bcl-  
671 BCl+ boron monochloride cation bcl+  
672 AlCl Aluminum monochloride alcl  
673 AlCl- aluminum monochloride anion alcl-  
674 AlCl+ aluminum monochloride cation alcl+  
675 ScF Scandium monofluoride scf  
676 BBr Boron monobromide bbr  
677 GaF Gallium monofluoride gaf  
678 GaF+ Gallium monofluoride cation gaf+  
679 AlBr Aluminum monobromide albr  
680 GaCl Gallium monochloride gacl  
681 GaCl+ Gallium monochloride cation gacl+  
682 AlI Aluminum monoiodide ali  
683 GaBr Gallium monobromide gabr  
684 CF Fluoromethylidyne cf  
685 CF- carbon monofluoride anion cf-  
686 CF+ carbon monofluoride cation cf+  
687 CCl carbon monochloride ccl  
688 CCl- carbon monochloride anion ccl-  
689 CCl+ carbon monochloride cation ccl+  
690 SiF silicon monofluoride sif  
691 SiF- silicon monofluoride anion sif-  
692 SiF+ silicon monofluoride cation sif+  
693 SiCl Clorosilylidyne sicl  
694 SiCl- silicon monochloride anion sicl-  
695 SiCl+ silicon monochloride cation sicl+  
696 CBr Carbon monobromide cbr  
697 GeF Germanium monofluoride gef  
698 GeF+ Germanium monofluoride cation gef+  
699 GeCl Germanium monochloride gecl  
700 GeCl+ Germanium monochloride cation gecl+  
701 SiBr Silicon monobromide sibr  
702 SiBr+ Silicon monobromide cation sibr+  
703 NF nitrogen fluoride nf  
704 NF- nitrogen monofluorine anion nf-  
705 NF+ nitrogen monofluoirde cation nf+  
706 NCl nitrogen monochloride ncl  
707 NCl- nitrogen monochloride anion ncl-  
708 NCl+ nitrogen monochloride cation ncl+  
709 PF phosphorus monofluoride pf  
710 PF- phosphorus monofluoride anion pf-  
711 PF+ phosphorus monofluoride cation pf+  
712 PCl phosphorus chloride pcl  
713 PCl- phosphorus monochloride anion pcl-  
714 PCl+ phosphorus monochloride cation pcl+  
715 AsF Arsenic monofluoride asf  
716 NBr nitrogen monobromide nbr  
717 AsCl Arsenic monochloride ascl  
718 PBr Phosphorus monobromide pbr  
719 SbF Antimony monofluoride sbf  
720 SbCl Antimony monochloride sbcl  
721 FO Oxygen monofluoride fo  
722 FO- flourine oxide anion fo-  
723 FO+ fluorine monoxide cation fo+  
724 ClO Monochlorine monoxide clo  
725 ClO- chlorine monoxide anion clo-  
726 ClO+ chlorine monoxide cation clo+  
727 SF Monosulfur monofluoride sf  
728 SF- sulfur monofluoride anion sf-  
729 SF+ sulfur monofluoride cation sf+  
730 SCl sulfur monochloride scl  
731 SCl- sulfur monochloride anion scl-  
732 SCl+ sulfur monochloride cation scl+  
733 BrO Bromine monoxide bro  
734 BrO- Bromine monoxide anion bro-  
735 BrO+ Bromine monoxide cation bro+  
736 SeF Selenium monofluoride sef  
737 SBr Sulfur monobromide radical sbr  
738 SBr+ Sulfur monobromide cation sbr+  
739 SeCl Selenium monochloride secl  
740 IO Iodine monoxide io  
741 SeBr Selenium monobromide sebr  
742 BrCl Bromine monochloride brcl  
743 F2- flourine diatomic anion f2-  
744 F2+ flourine diatomic cation f2+  
745 ClF Chlorine monofluoride clf  
746 ClF- clorine monofluoride anion clf-  
747 ClF+ clorine monofluoride cation clf+  
748 Cl2- chlorine diatomic anion cl2-  
749 Cl2+ chlorine diatomic cation cl2+  
750 BrF Bromine monofluoride brf  
751 BrF- bromine fluoride anion brf-  
752 BrF+ bromine fluoride cation brf+  
753 BrCl- bromine chloride anion brcl-  
754 BrCl+ bromine chloride cation brcl+  
755 Br2 Bromine diatomic br2  
756 Br2- bromine diatomic anion br2-  
757 Br2+ bromine diatomic cation br2+  
758 I2 Iodine diatomic i2  
759 I2+ Iodine diatomic cation i2+  
760 HCF Fluoromethylene hcf  
761 HCCl Chloromethylene hccl  
762 HSiF fluorosilylene hsif  
763 HSiCl Chlorosilylene hsicl  
764 HSiBr monobromosilylene hsibr  
765 CHBr bromomethylene chbr  
766 HOF Hypofluorous acid hfo  
767 DOCl Hypochlorous acid-d docl  
768 HOCl hypochlorous acid hocl  
769 HOCl+ hypochlorous acid cation hocl+  
770 HOBr Hypobromous acid hobr  
771 HOBr+ Hypobromous acid cation hobr+  
772 HOI Hypoiodous acid hoi  
773 F2H+ Fluorine, protonated f2h+  
774 FHF Hydrogen difluoride fhf  
775 FHF- Hydrogen difluoride anion fhf-  
776 ClFH+ Chlorine fluoride, F-protonated clfh+  
777 FClH+ Chlorine fluoride, Cl-protonated fclh+  
778 Cl2H+ Chlorine, protonated cl2h+  
779 CH2Br bromomethyl radical ch2br  
780 CH2F fluoromethyl radical ch2f  
781 CH2F+ fluoromethyl cation ch2f+  
782 CH2Cl+ chloromethyl cation ch2cl+  
783 CH2Cl chloromethyl radical ch2cl  
784 NH2F monofluoroamine nh2f  
785 NH2Cl chloramine nh2cl  
786 H2F2 Hydrogen fluoride dimer h2f2  
787 CH3F+ methyl fluoride cation ch3f+  
788 CD3F methylfluoride-d3 cd3f  
789 CH3F Methyl fluoride ch3f  
790 CD3Cl methyl chloride d3 cd3cl  
791 CH3Cl Methyl chloride ch3cl  
792 CH3Cl+ Methyl chloride cation ch3cl+  
793 SiH3F monofluorosilane sih3f  
794 SiH3Cl chlorosilane sih3cl  
795 CH3Br methyl bromide ch3br  
796 GeH3F monofluorogermane geh3f  
797 GeH3Cl monochlorogermane geh3cl  
798 SiH3Br bromosilane sih3br  
799 CH3I methyl iodide ch3i  
800 SiH3I Silyl Iodide sih3i  
801 NH3Cl+ protonated monochloroammonia nh3cl+  
802 CH3ClH+ methyl chloride, protonated ch3clh+  
803 NH4Cl Ammonium chloride nh4cl  
804 LiNe+ Lithium Neon cation line+  
805 Ne2 Neon diatomic ne2  
806 Ne2+ Neon diatomic cation ne2+  
807 Ar2 Argon diatomic ar2  
808 Ar2+ Argon diatomic cation ar2+  
809 Li3 Lithium trimer li3  
810 Li3+ Lithium trimer cation li3+  
811 C3 carbon trimer c3  
812 C3+ carbon trimer cation c3+  
813 SiC2 Silicon dicarbide sic2  
814 C3H3 cyclopropenyl radical cpr  
815 C3H3 Propargyl radical propargyl  
816 C3H3- Propargyl anion c3h3-  
817 C3H3+ cyclopropenyl cation cpr+  
818 C3H3+ Propargyl cation c3h3+  
819 C3H4 cyclopropene cprop  
820 CH2CCH2 allene allene  
821 CH3CCH propyne propyne  
822 C3H5+ Allyl cation allyl+  
823 CH3CHCH 1-propenyl radical ch3chch  
824 Zn(CH3)2 dimethyl zinc dmz  
825 C3H7 n-Propyl radical npropyl  
826 C3H7+ cyclopropane, protonated c3h7+  
827 CH3CHCH3 Isopropyl radical isopropyl  
828 CH3CHCH3+ Isopropyl cation prop2yl+  
829 C3H8 Propane propane  
830 SiH2(CH3)2 dimethylsilane dms  
831 Si3H8 trisilane si3h8  
832 LiCN lithium cyanide licn  
833 NaCN Sodium Cyanide nacn  
834 KCN Potassium cyanide kcn  
835 CuCN Copper cyanide cucn  
836 ZnCN Zinc monocyanide zncn  
837 ZnNC Zinc isocyanide znnc  
838 AlCN Aluminum monocyanide alcn  
839 AlNC Aluminum isocyanide alnc  
840 CN2 3H-Diazirin-3-ylidene cn2  
841 CNN Diazocarbene cnn  
842 NCN Cyanoimidogen ncn  
843 N3 azide radical n3  
844 N3- azide anion n3-  
845 N3+ azide cation n3+  
846 HCCN cyanomethylene hccn  
847 HCNN diazomethyl radical hcnn  
848 HN3 hydrogen azide hn3  
849 HN3+ Hydrazoic acid cation hn3+  
850 HNCNH diiminomethane hncnh  
851 CH2N2 diazirine ch2n2  
852 CH2NN diazomethane ch2nn  
853 NH2CN cyanamide cyanamide  
854 HNNNH+ 1,2-Triazadienium n2h3+  
855 NH2NN+ hydrazoic acid, protonated nh2nn+  
856 CH3CN Acetonitrile ch3cn  
857 CH3CN- acetonitrile anion ch3cn-  
858 CH3CN+ Acetonitrile cation ch3cn+  
859 CH3NC methyl isocyanide ch3nc  
860 CHNCH2 2H-Azirine c157164  
861 CHNHCH 1H-Azirine chnhch  
862 H2CCNH Ethenimine ch2cnh  
863 H2CNCH methyleneaminomethylene ch2nch  
864 HCCNH2 Ethynamine hccnh2  
865 HCNCH2+ 2H-Azirine cation hcnch2+  
866 HNCNH2+ diiminomethane, protonated hncnh2+  
867 NCNH3+ Cyanamide, protonated ncnh3+  
868 NH2CNH+ cyanamide, cn protonated nh2cnh+  
869 NH3CN+ cyanamide, amine protonated nh3cn+  
870 CH2CHNH vinylazine ch2chnh  
871 CH3CHN methylmethaniminyl radical ch3chn  
872 NHCHNH2 aminomethanimine cn2h4  
873 C2H5N Aziridine c2h5n  
874 CH2CHNH2 aminoethene aminoethene  
875 CH2NCH3 N-methylmethanimine nmm  
876 CH3CHNH ethanimine ethanimine  
877 NH2BHNH2 diaminoborane nh2bhnh2  
878 C2H5NH+ Protonated Aziridine c2h5nh+  
879 C2H6N+ aziridine, protonated c2h6n+  
880 NH2CH2NH2 diaminomethane nh2ch2nh2  
881 CH3CH2NH2 Ethylamine etam  
882 CH3NHCH3 Dimethylamine ch3nhch3  
883 CH3PHCH3 dimethylphosphine ch3phch3  
884 NH2CH2NH3+ diaminoethane, protonated pdam  
885 (CH3)2NH2+ dimethylammonium cation dmam  
886 CH3CH2NH3+ ethylamine, protonated pea  
887 Li2O dilithium oxide li2o  
888 Li2O+ dilithium oxide cation li2o+  
889 Li2S dilithium sulfide li2s  
890 Na2O disodium monoxide na2o  
891 Na2S Sodium sulfide na2s  
892 LiO2 Lithium dioxide lio2  
893 NaO2 Sodium superoxide nao2  
894 CCO Dicarbon monoxide cco  
895 CNO- fulminate cno-  
896 NCO isocyanato radical nco  
897 NCO- cyanate nco-  
898 SCN thiocyanato radical scn  
899 SCN- thiocyanide anion scn-  
900 BO2 Boron dioxide bo2  
901 BO2- Boron dioxide anion bo2-  
902 BO2+ Boron dioxide cation bo2+  
903 N2O Nitrous oxide n2o  
904 N2O- Nitrous oxide anion n2o-  
905 N2O+ Nitrous oxide cation n2o+  
906 NNS Nitrogen sulfide nns  
907 PPO Phosphorus oxide phosphide ppo  
908 CO2- Carbon dioxide anion co2-  
909 CO2+ Carbon dioxide cation co2+  
910 OCS Carbonyl sulfide cos  
911 OCS+ Carbonyl sulfide cation cos+  
912 SiO2 silicon dioxide sio2  
913 CS2 Carbon disulfide cs2  
914 CS2- Carbon disulfide anion cs2-  
915 CS2+ Carbon disulfide cation cs2+  
916 TiO2 Titanium dioxide tio2  
917 SiS2 Silicon disulfide sis2  
918 GeO2 Germanium dioxide geo2  
919 OCSe Carbonyl selenide ocse  
920 SCSe Carbon sulfide selenide scse  
921 GeS2 Germanium disulfide ges2  
922 CSe2 Carbon diselenide cse2  
923 SCTe Carbon sulfide Telluride scte  
924 NO2 Nitrogen dioxide no2  
925 NO2- Nitrogen dioxide anion no2-  
926 NO2+ Nitrogen dioxide cation no2+  
927 NSO sulfinyl amidogen NSO  
928 PO2 Phosphorus dioxide po2  
929 PO2- Phosphorus dioxide anion po2-  
930 PO2+ Phosphorus dioxide cation po2+  
931 SNO Nitrogen oxide sulfide sno  
932 AsO2 Aresenic dioxide aso2  
933 O3 Ozone o3  
934 O3- Ozone anion o3-  
935 O3+ Ozone cation o3+  
936 SO2- Sulfur dioxide anion so2-  
937 SO2+ Sulfur dioxide cation so2+  
938 SSO Disulfur monoxide sso  
939 S3 Sulfur trimer s3  
940 S3- Sulfur trimer anion s3-  
941 S3+ Sulfur trimer cation s3+  
942 SeO2 Selenium dioxide seo2  
943 SeO2+ Selenium dioxide cation seo2+  
944 TeO2 Tellurium Dioxide teo2  
945 HCCO ketenyl radical ketenyl  
946 CS2H+ Carbon disulfide, protonated cs2h+  
947 HCNO fulminic acid hcno  
948 HNCO Isocyanic acid hnco  
949 HOCN cyanic acid hocn  
950 HNCS Isothiocyanic acid hncs  
951 HSCN thiocyanic acid hscn  
952 HCO2- formate anion hco2-  
953 HNNO nitrosoazane hnno  
954 HNNO+ Nitrous oxide, N-protonated hnno+  
955 NNOH+ Nitrous Oxide, O-protonated nnoh+  
956 HCOO formate neutral radical hcoo  
957 HOCO Hydrocarboxyl radical hoco  
958 HOCO+ Hydrocarboxyl cation hoco+  
959 HNO2 Nitrous acid hno2  
960 HNO2+ nitrous acid cation hno2+  
961 O3H+ protonated ozone o3h+  
962 SO2H+ protonated sulfur dioxide so2h+  
963 C2H2O Oxirene oxirene  
964 CH2CO Ketene ch2co  
965 CH2CO+ Ketene cation ch2co+  
966 HCCOH ethynol hccoh  
967 CH2CS Thioketene ch2cs  
968 Be(OH)2 Beryllium hydroxide beo2h2  
969 Mg(OH)2 Magnesium dihydroxide h2mgo2  
970 NH2NO Nitrosamide nh2no  
971 CH2O2 Dioxirane diox  
972 H2COO Dioxymethyl radical h2coo  
973 H2COO+ dioxymethyl cation h2coo+  
974 HCOOH Formic acid ch2o2  
975 H2O3 Hydrogen trioxide h2o3  
976 HSSSH trisulfane hsssh  
977 NaOCH3 Sodium methoxide naoch3  
978 CH2BOH hydroxy(methylene)borane ch2boh  
979 BH3CO Borane carbonyl bh3co  
980 CH3BO Borane, methyloxo- ch3bo  
981 CH2CHO Vinyloxy radical ch2cho  
982 CH2COH+ ketene, protonated ch2coh+  
983 CH3CO Acetyl radical ch3co  
984 CH3CO- Acetyl anion ch3co-  
985 CH3CO+ acetyl cation ch3co+  
986 CH2NOH formaldoxime ch2noh  
987 CH3NO nitrosomethane ch3no  
988 CHONH2 formamide formamide  
989 CNOH3 1,2-oxaziridine cnoh3  
990 HOCHNH hydroxymethylimine hochnh  
991 CHSNH2 thioformamide chsnh2  
992 NHCHSH Methanimidothioic acid nhchsh  
993 CH2OOH CH2OOH radical ch2ooh  
994 CH3OO methylperoxy radical ch3oo  
995 CH3OO- methylperoxy anion ch3oo-  
996 CH3OO+ methylperoxy cation ch3oo+  
997 C2H4O Ethylene oxide c2h4o  
998 C2H4O+ ethylene oxide cation c2h4o+  
999 CH2CHOH ethenol ch2choh  
1000 CH3CHO Acetaldehyde ch3cho  
1001 CH3CHO+ acetaldehyde cation ch3cho+  
1002 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
1003 C2H4S Thiirane thiirane  
1004 CH2CHSH Ethenethiol ch2chsh  
1005 CH3CHS Thioacetaldehyde ch3chs  
1006 H2CONH2+ protonated formamide h2conh2+  
1007 NH2CHOH+ Formamide, O-protonated nh2choh+  
1008 NH3CHO+ Formamide, N-Protonated nh3cho+  
1009 CH2(OH)2 methanediol ch2o2h2  
1010 CH3OOH Methyl peroxide ch3ooh  
1011 CH3SSH Hydrogen methyl disulfide ch3ssh  
1012 HSCH2SH Methanedithiol ch4s2  
1013 H2OH2CO water formaldehyde dimer h2oh2co  
1014 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1015 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1016 CH3CH2O Ethoxy radical ethoxy  
1017 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1018 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1019 CH3OCH2 methoxymethyl radical ch3och2  
1020 NH2CH2OH aminomethanol nh2ch2oh  
1021 CH3CH2OH Ethanol etoh  
1022 CH3OCH3 Dimethyl ether meome  
1023 CH3CH2SH ethanethiol etsh  
1024 CH3SCH3 Dimethyl sulfide mesme  
1025 CH3SCH3+ dimethyl sulfide cation mesme+  
1026 CH3SeCH3 dimethylselenide dmse  
1027 CH3OHH2O methanol water dimer ch3ohh2o  
1028 H2OCH3OH water methanol dimer h2och3oh  
1029 CuF2 Copper difluoride cuf2  
1030 ZnF2 Zinc difluoride znf2  
1031 CNF iso cyanogen fluoride cnf  
1032 FCN Cyanogen fluoride fcn  
1033 ClCN chlorocyanogen clcn  
1034 BrCN Cyanogen bromide brcn  
1035 ICN Cyanogen iodide icn  
1036 FBO Boron monofluoride monoxide fbo  
1037 BeF2 Beryllium fluoride bef2  
1038 MgF2 Magnesium fluoride mgf2  
1039 BeCl2 Beryllium chloride becl2  
1040 MgCl2 Magnesium dichloride mgcl2  
1041 CaCl2 Calcium Chloride cacl2  
1042 ZnCl2 Zinc dichloride zncl2  
1043 BeBr2 Beryllium bromide bebr2  
1044 CaBr2 Calcium dibromide cabr2  
1045 CaF2 Calcium difluoride caf2  
1046 FCO Carbonyl fluoride fco  
1047 FCO+ Carbonyl fluoride cation fco+  
1048 ClCO carbonyl monochloride clco  
1049 BF2 Boron difluoride radical bf2  
1050 FNO Nitrosyl fluoride fno  
1051 ClNO Nitrosyl chloride clno  
1052 FNS Thionitrosyl fluoride fns  
1053 FSN Thiazyl fluoride fsn  
1054 OPCl Phosphorus oxychloride opcl  
1055 BrNO Nitrosyl bromide brno  
1056 INO Nitrosyl iodide ino  
1057 CF2 Difluoromethylene cf2  
1058 CF2- Difluoromethylene anion cf2-  
1059 CF2+ Difluoromethylene cation cf2+  
1060 CFCl chlorofluoromethylene cfcl  
1061 SiF2 Silicon difluoride sif2  
1062 SiF2+ Silicon difluoride cation sif2+  
1063 CCl2 dichloromethylene ccl2  
1064 CCl2- dichloromethylene anion ccl2-  
1065 CCl2+ dichloromethylene cation ccl2+  
1066 SiCl2 Dichlorosilylene sicl2  
1067 GeF2 Germanium difluoride gef2  
1068 GeCl2 Germanium dichloride gecl2  
1069 CBr2 dibromomethylene cbr2  
1070 FOO Dioxygen monofluoride radical foo  
1071 FOO+ Fluorine dioxide cation foo+  
1072 ClOO chloroperoxy radical cloo  
1073 ClOO+ chloroperoxy cation cloo+  
1074 OClO Chlorine dioxide oclo  
1075 OClO- Chlorine dioxide anion oclo-  
1076 OClO+ Chlorine dioxide cation oclo+  
1077 ClSO Sulfur chloride oxide clso  
1078 ClS2 Sulfur chloride cls2  
1079 BrOO Bromine dioxide broo  
1080 OBrO Bromine dioxide radical obro  
1081 NF2 Difluoroamino radical nf2  
1082 NF2+ Difluoroamino cation nf2+  
1083 PF2 Phosphorus difluoride pf2  
1084 PF2+ Phosphorus difluoride cation pf2+  
1085 FClO chlorosyl fluoride fclo  
1086 F2O Difluorine monoxide f2o  
1087 ClOF Chlorine hypofluorite clof  
1088 SF2 sulfur difluoride sf2  
1089 SF2- sulfur difluoride anion sf2-  
1090 SF2+ sulfur difluoride cation sf2+  
1091 Cl2O Dichlorine monoxide cl2o  
1092 SCl2 Sulfur dichloride scl2  
1093 SeF2 Selenium difluoride sef2  
1094 BrOCl Bromine hypochlorite brocl  
1095 SeCl2 Selenium Dichloride secl2  
1096 SBr2 Sulfur dibromide sbr2  
1097 SeBr2 Selenium dibromide sebr2  
1098 BrOBr Bromine oxide brobr  
1099 F3- trifluoride anion f3-  
1100 Cl3- trichloride anion cl3-  
1101 Br3- tribromide anion br3-  
1102 I3- triiodide i3-  
1103 SFCl Sulfur chloride fluoride sfcl  
1104 HCCF Fluoroacetylene hccf  
1105 HCCF+ fluoroacetylene cation hccf+  
1106 HCCCl Chloroacetylene hcccl  
1107 HCCBr bromoacetylene hccbr  
1108 HFCO formyl fluoride hfco  
1109 HFCO+ formyl fluoride cation hfco+  
1110 COHCl Formyl chloride cohcl  
1111 COHBr Formyl bromide cohbr  
1112 BHF2 Difluoroborane bhf2  
1113 BHCl2 Borane, dichloro- bhcl2  
1114 CHCl2 dichloromethyl radical chcl2  
1115 CHF2 difluoromethyl radical chf2  
1116 CHF2+ difluoromethyl cation chf2+  
1117 CHFCl Chlorofluoromethyl radical chfcl  
1118 CHFCl+ Chlorofluoromethyl cation chfcl+  
1119 CHCl2+ dichloromethyl cation chcl2+  
1120 CHBr2 dibromomethyl radical chbr2  
1121 HOClO Chlorous acid hoclo  
1122 NHF2 difluoramine nhf2  
1123 NHCl2 dichloroamine nhcl2  
1124 CH2F2 Methane, difluoro- ch2f2  
1125 CH2FCl fluorochloromethane ch2fcl  
1126 SiH2F2 difluorosilane sih2f2  
1127 CH2Cl2 Methylene chloride ch2cl2  
1128 CH2BrF Methane, bromofluoro- ch2fbr  
1129 CH2BrCl Methane, bromochloro- ch2clbr  
1130 CH2FI fluoroiodomethane ch2fi  
1131 CH2Br2 dibromomethane ch2br2  
1132 CH2ClI chloroiodomethane ch2cli  
1133 CH2BrI bromoiodomethane ch2bri  
1134 CH2I2 Diiodomethane ch2i2  
1135 SiH2Cl2 dichlorosilane sih2cl2  
1136 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1137 CH2CHF Ethene, fluoro- ch2chf  
1138 CH2CHF+ fluoroethene cation ch2chf+  
1139 C2H3Cl Ethene, chloro- ch2chcl  
1140 C2H3Br vinyl bromide c2h3br  
1141 C2H3I Vinyl iodide c2h3i  
1142 CH2FOH fluoromethanol ch2foh  
1143 CH3OCl methyl hypochlorite ch3ocl  
1144 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1145 CHClCH3 1-chloroethyl radical chclch3  
1146 C2H5F fluoroethane c2h5f  
1147 CH3CH2Cl Ethyl chloride c2h5cl  
1148 CH3SiFH2 fluoromethylsilane ch3sifh2  
1149 C2H5Br Ethyl bromide etbr  
1150 C2H5I Ethyl iodide c2h5i  
1151 KrF2 Krypton difluoride krf2  
1152 XeF2 Xenon difluoride xef2  
1153 B4H10 Tetraborane(10) b4h10  
1154 C4 Carbon tetramer c4  
1155 C4+ Carbon tetramer cation c4+  
1156 C4H2 Diacetylene c4h2  
1157 C4H2+ diacetlyene cation c4h2+  
1158 C2H3CCH 1-Buten-3-yne c2h3cch  
1159 C4H4 cyclobutadiene cbd  
1160 C4H4 Tetrahedrane c4h4  
1161 H2CCCCH2 Butatriene h2cccch2  
1162 C4H6 1-Methylcyclopropene c3100047  
1163 C4H6 Cyclobutene c822355  
1164 C4H6 Methylenecyclopropane c6142730  
1165 CH2CCHCH3 1,2-Butadiene butad12  
1166 CH2CHCHCH2 1,3-Butadiene c106990  
1167 CH3CCCH3 2-Butyne c503173  
1168 CHCCH2CH3 1-Butyne c107006  
1169 CH3CHCHCH2 methylallyl radical c4h7  
1170 C4H8 methylcyclopropane mcp  
1171 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1172 CH2CHCH2CH3 1-Butene bute1  
1173 CH3CHCHCH3 2-Butene, (E)- bute2e  
1174 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1175 B(CH3)3 trimethylborane bme3  
1176 Al(CH3)3 trimethyl aluminum tma  
1177 C(CH3)3 Tert-butyl radical tbutyl  
1178 CH2CH(CH3)2 Isobutyl radical isobutyl  
1179 CH3CHCH2CH3 2-Butyl radical butyl2  
1180 CH3CH(CH3)CH3 Isobutane isobutane  
1181 CH3CH2CH2CH3 Butane butane  
1182 SiH(CH3)3 trimethylsilane trimsi  
1183 Li3N trilithium nitride li3n  
1184 C2N2 Cyanogen c2n2  
1185 C2N2+ Cyanogen cation c2n2+  
1186 P4 Phosphorus tetramer p4  
1187 As4 Arsenic tetramer as4  
1188 HCCCN Cyanoacetylene hcccn  
1189 HCCCN+ Cyanoacetylene cation hcccn+  
1190 H2CNCN cyanamide, methylene ch2ncn  
1191 HNCCNH Ethenediimine hnccnh  
1192 C3H3N acrylonitrile ch2chcn  
1193 C3H3N+ acrylonitrile cation ch2chcn+  
1194 CH3N3 methyl azide ch3n3  
1195 NH2CCNH2 Diaminoacetylene daa  
1196 NH2CH2CN Aminoacetonitrile aan  
1197 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1198 C2H5CN ethyl cyanide c2h5cn  
1199 CH5N3 Guanidine guanidine  
1200 C4H6 Bicyclo[1.1.0]butane c157335  
1201 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1202 H2NCHCHNH2 diaminoethylene dae  
1203 CH6N3+ guanidinium ch6n3+  
1204 C3H7N Cyclopropylamine cpram  
1205 CH7N3 triaminomethane tam  
1206 C3H7N Azetidine azet  
1207 C4H8 cyclobutane cbutane  
1208 C2H8N2 Ethylenediamine ethdiam  
1209 CH3NHNHCH3 dimethyl hydrazine dmh  
1210 CH3CH(NH2)CH3 2-Propanamine pram2  
1211 N(CH3)3 Trimethylamine trimeam  
1212 NH2CH2CH2CH3 1-Propanamine pram1  
1213 P(CH3)3 trimethylphosphine tmp  
1214 N(SiH3)3 trisilylamine tsa  
1215 As(CH3)3 trimethyl arsine tmas  
1216 (CH3)3NH+ protonated trimethyl amine ptma  
1217 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1218 Li2O2 dilithium dioxide li2o2  
1219 Na2O2 disodium dioxide na2o2  
1220 K2O2 dipotassium dioxide k2o2  
1221 C3O Tricarbon monoxide c3o  
1222 B2O2 Diboron dioxide b2o2  
1223 ONNO NO dimer onno  
1224 S2N2 Disulfur dinitride s2n2  
1225 CO3 Carbon trioxide co3  
1226 CO3-- carbonate co3--  
1227 CS3-- Carbonotrithioate cs3--  
1228 NO3 Nitrogen trioxide no3  
1229 NO3- nitrate anion no3-  
1230 NO3+ nitrogen trioxide cation no3+  
1231 SO3 Sulfur trioxide so3  
1232 SO3- Sulfur trioxide anion so3-  
1233 SO3-- Sulfate dianion so3--  
1234 SO3+ Sulfur trioxide cation so3+  
1235 SeO3 selenium trioxide seo3  
1236 S4 Sulfur tetramer s4  
1237 TeO3 Tellurium trioxide teo3  
1238 HCO3- bicarbonate anion hco3-  
1239 HNO3 Nitric acid hno3  
1240 HSO3 Hydroxysulfonyl radical hso3  
1241 NH2NO2 nitramide nh2no2  
1242 C2H2CO cyclopropenone c2h2co  
1243 C3H2O Propadienal c3h2o  
1244 HCCCHO 2-propynal hcccho  
1245 C2H2O2 Ethanedial c2h2o2  
1246 C2H2O2+ Ethanedial cation c2h2o2+  
1247 H2CO3 Carbonic acid h2co3  
1248 H2CS3 thiocarbonic acid h2cs3  
1249 H2NO3+ Nitric Acid, Protonated h2no3+  
1250 H2SO3 Sulfurous acid h2so3  
1251 C2H3NO Nitrosoethylene c2h3no  
1252 CH3NCO methylisocyante ch3nco  
1253 HOCH2CN cyanomethanol hoch2cn  
1254 CH3COO- acetate anion ch3coo-  
1255 CH3NO2 Methane, nitro- ch3no2  
1256 CH3ONO Methyl nitrite ch3ono  
1257 NH2COOH Carbamic acid nh2cooh  
1258 H3BO3 Boric acid h3bo3  
1259 H3AlO3 Aluminum hydroxide h3alo3  
1260 H3CO3+ carbonic acid, protonated h3co3+  
1261 C3H4O 2-Propyn-1-ol c107197  
1262 C3H4O allenol c9000071  
1263 C3H4O Cyclopropanone cpone  
1264 C3H4O Methylketene c6004440  
1265 CH2CHCHO Acrolein c3h4o  
1266 NH2CONH2 Urea urea  
1267 NH2CONH2+ Urea cation urea+  
1268 NH2CSNH2 Thiourea thiourea  
1269 C2H4O2 1,3-dioxetane c2h4o2  
1270 CH3COOH Acetic acid ch3cooh  
1271 CH3OCHO methyl formate ch3ocho  
1272 CHOCH2OH hydroxy acetaldehyde haa  
1273 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1274 NH3COOH+ protonated Carbamic acid nh3cooh+  
1275 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1276 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1277 HCOOHH2O Formic acid water dimer hcoohh2o  
1278 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1279 CH3COCH2 Acetonyl radical ch3coch2  
1280 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1281 CH3C(OH)=NH Ethaninidic acid eia  
1282 CH3CHNOH Acetaldoxime acetaldoxime  
1283 CH3CONH2 Acetamide acetamide  
1284 HCONHCH3 N-methylformamide nmfa  
1285 CH3CSNH2 Ethanethioamide ch3csnh2  
1286 CH5N2O+ urea, N-protonated ch4n2o+  
1287 H2NCOHNH2+ urea, protonated ureah+  
1288 C2H5OO ethylperoxy radical c2h5oo  
1289 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1290 C3H5OH Cyclopropanol cproh  
1291 C3H6O 2-Propen-1-ol c107186  
1292 C3H6O Acetone enol enol  
1293 C3H6O Oxetane oxetane  
1294 C3H6O Propylene oxide prox  
1295 CH3CH2CHO Propanal propanal  
1296 CH3COCH3 Acetone acetone  
1297 CH3COCH3- acetone anion ch3coch3-  
1298 C3H6S Thietane thietane  
1299 C3H6S Thiirane, methyl- methiirane  
1300 CH3CSCH3 Thioacetone ch3csch3  
1301 C2H6O2 1,2-Ethanediol ethdiol  
1302 CH3OOCH3 dimethylperoxide dmp  
1303 CH3SOCH3 Dimethyl sulfoxide dmso  
1304 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1305 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1306 CH3COHCH3+ acetone, protonated acetoneh+  
1307 HOCH2CH2NH2 monoethanolamine mea  
1308 C3H7OH 1-Propanol proh  
1309 CH3CHOHCH3 Isopropyl alcohol isoproh  
1310 CH3OC2H5 Ethane, methoxy- etome  
1311 C3H7SH 1-Propanethiol prsh  
1312 CH3CHSHCH3 2-Propanethiol isoprsh  
1313 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1314 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1315 Li2F2 Lithium fluoride dimer li2f2  
1316 Na2F2 Sodium Fluoride Dimer na2f2  
1317 Na2Cl2 Disodium dichloride na2cl2  
1318 C2F2 difluoroacetylene c2f2  
1319 C2Cl2 dichloroacetylene c2cl2  
1320 C2Cl2+ dichloroacetylene cation c2cl2+  
1321 FNO2 Nitryl fluoride fno2  
1322 FONO Nitrosyl hypofluorite fono  
1323 ClNO2 Nitryl chloride clno2  
1324 ClONO chlorine nitrite clono  
1325 BrONO Bromine nitrite brono  
1326 N2F2 (Z)-Difluorodiazene n2f2_z  
1327 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1328 CF2O Carbonic difluoride f2co  
1329 CF2O+ Carbonic difluoride cation f2co+  
1330 COFCl Carbonic chloride fluoride cofcl  
1331 CCl2O Phosgene cl2co  
1332 Cl2CS Thiophosgene cl2cs  
1333 COBr2 Carbonic dibromide cobr2  
1334 BF3- Borane, trifluoro- anion bf3-  
1335 BF3+ boron trifluoride cation bf3+  
1336 BClF2 Chlorodifluoroborane bclf2  
1337 AlF2Cl Aluminum chloride difluoride alclf2  
1338 ScF3 Scandium trifluoride ScF3  
1339 AlFCl2 Aluminum dichloride fluoride alcl2f  
1340 BCl3 Borane, trichloro- bcl3  
1341 BCl3+ Boron Trichloride cation bcl3+  
1342 GaF3 Gallium trifluoride gaf3  
1343 AlCl3 Aluminum trichloride alcl3  
1344 GaCl3 Gallium trichloride gacl3  
1345 BBr3 Boron tribromide bbr3  
1346 AlBr3 Aluminum Bromide albr3  
1347 ClO3 Chlorine trioxide clo3  
1348 ClO3- chlorate anion clo3-  
1349 BrO3- Bromate anion bro3-  
1350 CF3 Trifluoromethyl radical cf3  
1351 CF3- Trifluoromethyl anion cf3-  
1352 CF3+ Trifluoromethyl cation cf3+  
1353 CF2Cl difluorochloromethyl radical cf2cl  
1354 SiF3 Silicon trifluoride radical sif3  
1355 SiF3+ Silicon trifluoride cation sif3+  
1356 CFCl2 dichlorofluoromethyl radical cfcl2  
1357 CCl3 Trichloromethyl radical ccl3  
1358 CCl3- Trichloromethyl anion ccl3-  
1359 CCl3+ Trichloromethyl cation ccl3+  
1360 SiCl3 trichlorosilyl radical sicl3  
1361 SiCl3+ trichlorosilyl cation sicl3+  
1362 CBr3 tribromomethyl radical cbr3  
1363 FOOF Perfluoroperoxide foof  
1364 ClO2F Chloryl fluoride clo2f  
1365 F2SO Thionyl Fluoride f2so  
1366 ClOOCl Dichlorine dioxide cloocl  
1367 FSSF Difluorodisulfane fssf  
1368 S2F2 Thio-thionyl fluoride s2f2  
1369 SOCl2 thionyl chloride socl2  
1370 SSCl2 Thiothionyl chloride sscl2  
1371 SeOCl2 selenium oxychloride seocl2  
1372 NF3 Nitrogen trifluoride nf3  
1373 NF3- Nitrogen trifluoride anion nf3-  
1374 NF3+ Nitrogen trifluoride cation nf3+  
1375 PF3 Phosphorus trifluoride pf3  
1376 NCl3 nitrogen trichloride ncl3  
1377 AsF3 Arsenic trifluoride asf3  
1378 PCl3 Phosphorus trichloride pcl3  
1379 SbF3 Antimony Trifluoride sbf3  
1380 AsCl3 Arsenous trichloride ascl3  
1381 SbCl3 Antimony Trichloride sbcl3  
1382 NBr3 Nitrogen Tribromide nbr3  
1383 PBr3 Phosphorus tribromide pbr3  
1384 AsBr3 Arsenic tribromide asbr3  
1385 NI3 Nitrogen triiodide ni3  
1386 PI3 Phosphorus triiodide pi3  
1387 ClSSCl Disulfur dichloride s2cl2  
1388 SF3 Sulfur trifluoride sf3  
1389 ClF3 Chlorine trifluoride clf3  
1390 BrF3 Bromine trifluoride brf3  
1391 IF3 iodone trifluoride if3  
1392 HClO3 Chloric Acid hclo3  
1393 CHF3 Methane, trifluoro- chf3  
1394 CHF2Cl difluorochloromethane chf2cl  
1395 SiHF3 trifluorosilane sihf3  
1396 CHFCl2 fluorodichloromethane chfcl2  
1397 CDCl3 trichloromethane-d cdcl3  
1398 CHCl3 Chloroform chcl3  
1399 CHBrF2 Methane, bromodifluoro- chbrf2  
1400 SiHCl3 Trichlorosilane sihcl3  
1401 CHFClBr fluorochlorobromomethane chfclbr  
1402 CHBrCl2 Methane, bromodichloro- chbrcl2  
1403 CHF2I difluoroiodomethane chf2i  
1404 CHBr2F dibromofluoromethane chbr2f  
1405 CHFClI fluorochloroiodomethane chfcli  
1406 CHCl2I dichloroiodomethane chcl2i  
1407 CHClBr2 Methane, dibromochloro- chclbr2  
1408 CHBr3 bromoform chbr3  
1409 CHI3 Iodoform chi3  
1410 NF3H+ protonated nitrogen trifluoride nf3h+  
1411 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1412 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1413 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1414 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1415 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1416 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1417 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1418 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1419 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1420 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1421 C2H2Br2 1,1-dibromoethene c2h2br2  
1422 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1423 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1424 CH2FCHO Fluoroacetaldehyde ch2fcho  
1425 CH3COF Acetyl fluoride ch3cof  
1426 CH2ClCHO chloroacetaldehyde ch2clcho  
1427 CH3COCl Acetyl Chloride ch3cocl  
1428 C2H4F2 1,2-difluoroethane c2h4f2  
1429 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1430 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1431 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1432 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1433 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1434 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1435 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1436 CH2CFCH3 2-fluoropropene 2fpro  
1437 CH2CHCH2F Allyl Fluoride allylf  
1438 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1439 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1440 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1441 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1442 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1443 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1444 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1445 CH2FCH2CH3 1-Fluoropropane prf1  
1446 CH3CHFCH3 2-Fluoropropane prf2  
1447 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1448 CH3CHClCH3 Propane, 2-chloro- prcl2  
1449 CH3CH2CH2Br n-propyl bromide prbr  
1450 CH3CHBrCH3 i-propyl bromide iprbr  
1451 C3H9O+ trimethyl oxonium cation c3h9o+  
1452 B5H9 pentaborane9 b5h9  
1453 C5H4 pentatetraene ptrene  
1454 C5H5 cyclopentadienyl radical c5h5  
1455 C5H5- cylopentadienyl anion c5h5-  
1456 C5H6 1,3-Cyclopentadiene c542927  
1457 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1458 C5H6 3-Penten-1-yne, (E)- c2004695  
1459 C5H6 3-Penten-1-yne, (Z)- c1574409  
1460 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1461 C5H6 Cyclopropylacetylene c6746947  
1462 C5H6 Propellane propellane  
1463 C5H7 1,3-pentadienyl radical pdyl  
1464 C5H7 cyclopentenyl radical cpyl  
1465 C5H8 1,2-Butadiene, 3-methyl- c598254  
1466 C5H8 1,2-Pentadiene c591957  
1467 C5H8 1,3-Butadiene, 2-methyl- c78795  
1468 C5H8 1,3-Pentadiene, (E)- c2004708  
1469 C5H8 1,3-Pentadiene, (Z)- c1574410  
1470 C5H8 1,4-Pentadiene c591935  
1471 C5H8 1-pentyne a1pentyne  
1472 C5H8 2,3-Pentadiene c591968  
1473 C5H8 Bicyclo[1.1.1]pentane bcp  
1474 C5H8 Cyclobutane, methylene- c1120565  
1475 C5H8 Cyclopentene c142290  
1476 C5H8 Ethenylcyclopropane c693867  
1477 CH3CCCH2CH3 2-Pentyne 2pentyne  
1478 C5H10 1-Butene, 2-methyl- c563462  
1479 C5H10 2-Butene, 2-methyl- c513359  
1480 C5H10 2-Pentene, (E)- c646048  
1481 C5H10 2-Pentene, (Z)- c627203  
1482 C5H10 Cyclopentane c287923  
1483 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1484 CH2CHCH2CH2CH3 1-pentene pentene  
1485 C5H11 2-Methylbut-2-yl radical c4348350  
1486 C5H12 Butane, 2-methyl- buta2  
1487 C5H12 Pentane pentane  
1488 C5H12 Propane, 2,2-dimethyl- neopentane  
1489 Si(CH3)4 tetramethylsilane tms  
1490 N2O3 Dinitrogen trioxide n2o3  
1491 C3H2N2 Malononitrile c3h2n2  
1492 CH2N4 1H-Tetrazole 1htz  
1493 C3H3N2 imidazolyl radical im  
1494 C3H3N2- imidizolyl anion im-  
1495 C2H3N3 1H-1,2,4-Triazole c288880  
1496 C4H4N pyrrolide radical c4h4n  
1497 C4H4N- pyrrolide anion c4h4n-  
1498 C3H4N2 1H-Imidazole 1himidaz  
1499 C3H4N2 1H-Pyrazole 1hpyraz  
1500 C3H4N2 2H-Imidazole imid2h  
1501 C3H4N2 4H-Imidazole imid4h  
1502 C4H5N (E)-2-Butenenitrile c627269  
1503 C4H5N (Z)-2-Butenenitrile c1190767  
1504 C4H5N 2H-pyrrole pyrrole2  
1505 C4H5N 3H-pyrrole pyrrole3  
1506 C4H5N Cyclopropanecarbonitrile c5500210  
1507 C4H5N Pyrrole pyrrole  
1508 CH2CHCH2CN Allylcyanide ch2chch2cn  
1509 C4H6N+ pyrrole, alpha-protonated appyr  
1510 C4H6N+ pyrrole, beta-protonated bppyr  
1511 C4H6N+ pyrrole, protonated ppyr  
1512 C3H6N2 3-Aminopropionitrile c151188  
1513 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1514 CH3CH2CH2CN Butanenitrile c109740  
1515 C5H8 Bicyclo[2.1.0]pentane c185944  
1516 C5H8 Spiropentane c157404  
1517 C4H9N Cyclobutylamine cbam  
1518 C4H9N Pyrrolidine pyrrolidine  
1519 C3H10N2 1,2-Diaminopropane diampr12  
1520 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1521 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1522 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1523 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1524 NH(C2H5)2 diethylamine dea  
1525 NC4H12+ tetramethyl ammonium cation nc4h12+  
1526 C3O2 Carbon suboxide c3o2  
1527 C3O2+ Carbon suboxide cation c3o2+  
1528 B2O3 diboron trioxide b2o3  
1529 MgCO3 Magnesium Carbonate mgco3  
1530 BeCO3 Beryllium Carbonate beco3  
1531 CaCO3 Calcium Carbonate caco3  
1532 ONONO Nitrosyl nitrite onono  
1533 PO4--- phosphate po4---  
1534 SO4-- sulfate so4--  
1535 HOONO2 peroxy nitric acid hoono2  
1536 HSO4- bisulfate anion hso4-  
1537 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1538 C3H2O2 Propiolic acid c3h2o2  
1539 CHOCOOH oxo acetic acid oaa  
1540 CHOOCHO diformyl ether choocho  
1541 H2SO4 Sulfuric acid h2so4  
1542 H2SeO4 Selenic acid h2seo4  
1543 C3H3NO Isoxazole isox  
1544 C3H3NO Oxazole oxazole  
1545 C3H3NS Thiazole thiazole  
1546 CH3C(O)OO acetyl peroxy radical ch3coo2  
1547 CH3NO3 Methyl nitrate ch3no3  
1548 H3PO4 Phosphoric Acid h3po4  
1549 C4H4O Furan furan  
1550 C4H4O+ Furan cation furan+  
1551 CH3COCCH 3-butyn-2-one c1423605  
1552 C4H4S Thiophene furans  
1553 C4H4Se selenophene c4h4se  
1554 C3H4O2 β–Propiolactone beta  
1555 C3H4O2 2-Propenoic acid propenoic2  
1556 C3H4O2 Methyl glyoxal megly  
1557 C3H4O2 propanedial propanedial  
1558 C3H4O2 propenalol propenalol  
1559 HOCHCCHOH allenediol aldiol  
1560 C2H4O3 1,2,3-trioxolane c2h4o3  
1561 C2H4O3 trioxolane124 triox  
1562 HOCH2COOH Hydroxyacetic acid hac  
1563 CH2CHCONH2 Acrylamide c79061  
1564 CH3OCH2CN Methoxyacetonitrile c1738369  
1565 CH5N3S Hydrazinecarbothioamide c79196  
1566 H2NCH2COOH Glycine glycine  
1567 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1568 C4H6O cis-2-butenal butenal2c  
1569 C4H6O Cyclobutanone cbutone  
1570 C4H6O Furan, 2,3-dihydro- furan23h  
1571 C4H6O Furan, 2,5-dihydro- furan25h  
1572 CH2CHOCHCH2 Vinyl ether vinylether  
1573 CHOCHCHCH3 2-Butenal butenal2  
1574 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1575 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1576 CH2CHSCHCH2 Divinyl sulfide divis  
1577 C2H6N2O Urea, methyl- c598505  
1578 C3H6O2 1,3-Dioxolane dioxolane  
1579 CH3CH2COOH Propanoic Acid propanoic  
1580 CH3COOCH3 methyl acetate aame  
1581 HCOOC2H5 Ethyl formate faee  
1582 C2H6O2S Dimethyl sulfone c67710  
1583 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1584 C3H7NO dimethylformamide dmf  
1585 C3H7NO Propanamide propanam  
1586 C2H3OC2H5 Ethene, ethoxy- c109922  
1587 C4H8O Cyclobutanol c2919235  
1588 C4H8O Furan, tetrahydro- thf  
1589 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1590 CH3COCH2CH3 2-Butanone buta2one  
1591 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1592 CHOCH2CH2CH3 Butanal butanal  
1593 C4H8S Thiophene, tetrahydro- tht  
1594 C3H8O2 1,3-Propanediol c504632  
1595 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1596 C3H8O2 Methane, dimethoxy- c109875  
1597 C3H8O2 Propylene glycol c57556  
1598 C3H8S2 1,3-Propanedithiol c109808  
1599 C4H10O 1-Butanol butanol1  
1600 C4H10O 1-Propanol, 2-methyl- c78831  
1601 C4H10O 2-Butanol, (.+/-.)- butanol2  
1602 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1603 C4H10O Ethoxy ethane etoet  
1604 C4H10O Methyl propyl ether meopr  
1605 C4H10O Propane, 2-methoxy- c598538  
1606 C4H10O+ 1-Butanol cation butanol1+  
1607 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1608 C2H5SC2H5 Diethyl sulfide etset  
1609 C4H9SH 1-Butanethiol bush  
1610 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1611 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1612 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1613 FNO3 Fluorine nitrate fno3  
1614 ClONO2 Chlorine nitrate clono2  
1615 BrONO2 Bromine nitrate brono2  
1616 TiCl4 Titanium tetrachloride ticl4  
1617 ClO4- perchlorate anion clo4-  
1618 BF4- tetrafluoroboron anion bf4-  
1619 ClFO3 Perchloryl fluoride clfo3  
1620 SO2F2 Sulfuryl fluoride so2f2  
1621 SO2Cl2 Sulfuryl chloride so2cl2  
1622 F3NO Nitrogen trifluoride oxide f3no  
1623 F3PO Phosphoryl fluoride pf3o  
1624 Cl3PO Phosphoryl chloride pcl3o  
1625 CF4 Carbon tetrafluoride cf4  
1626 CF3Cl Methane, chlorotrifluoro- cf3cl  
1627 SiF4 Silicon tetrafluoride sif4  
1628 CF2Cl2 difluorodichloromethane cf2cl2  
1629 TiF4 Titanium tetrafluoride tif4  
1630 CFCl3 Trichloromonofluoromethane cfcl3  
1631 CF3Br Bromotrifluoromethane cf3br  
1632 GeF4 Germanium tetrafluoride gef4  
1633 CCl4 Carbon tetrachloride ccl4  
1634 CCl4+ Carbon tetrachloride cation ccl4+  
1635 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1636 SiCl4 Silane, tetrachloro- sicl4  
1637 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1638 CF3I trifluoroiodomethane cf3i  
1639 CBrCl3 Methane, bromotrichloro- cbrcl3  
1640 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1641 GeCl4 Germanium Tetrachloride gecl4  
1642 CBr2ClF dibromochlorofluoromethane cbr2clf  
1643 CBr2Cl2 dibromodichloromethane cbr2cl2  
1644 CCl3I trichloroiodomethane ccl3i  
1645 CFBr3 fluorotribromomethane cfbr3  
1646 CFClBrI fluorochlorobromoiodomethane cfclbri  
1647 CBr3Cl tribromochloromethane cbr3cl  
1648 CF2I2 difluorodiiodomethane cf2i2  
1649 CBr4 Carbon tetrabromide cbr4  
1650 CCl2I2 dichlorodiiodomethane ccl2i2  
1651 SiBr4 Silicon tetrabromide sibr4  
1652 CBr3I tribromoiododmethane cbr3i  
1653 GeBr4 Germanium tetrabromide gebr4  
1654 CI4 tetraiodomethane ci4  
1655 SiI4 silicon tetraiodide sii4  
1656 ClOF3 Chlorine trifluoride oxide clof3  
1657 SF4 Sulfur tetrafluoride sf4  
1658 SeF4 Selenium tetrafluoride sef4  
1659 SCl4 Sulfur tetrachloride scl4  
1660 C2HF3 Trifluoroethylene c2hf3  
1661 C2HF3+ Trifluoroethylene cation c2hf3+  
1662 CHClCCl2 Trichloroethylene chclccl2  
1663 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1664 HClO4 perchloric acid hclo4  
1665 HSO3F Fluorosulfonic acid hso3f  
1666 CF3OH trifluoromethanol cf3oh  
1667 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1668 CHClCCHCl 1,3-dichloroallene chclcchcl  
1669 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1670 CHCl2CHO dichloroacetaldehyde chcl2cho  
1671 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1672 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1673 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1674 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1675 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1676 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1677 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1678 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1679 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1680 NH3BCl3 Amminetrichloroboron nh3bcl3  
1681 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1682 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1683 C3H5ClO Oxirane, (chloromethyl)- c106898  
1684 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1685 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1686 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1687 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1688 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1689 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1690 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1691 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1692 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1693 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1694 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1695 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1696 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1697 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1698 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1699 C4H9F 1-fluorobutane butaf1  
1700 CH3CHFCH2CH3 2-fluorobutane butaf2  
1701 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1702 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1703 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1704 XeF4 Xenon tetrafluoride xef4  
1705 C2H2N2O Furazan furazan  
1706 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1707 NH3BF3 Amminetrifluoroboron nh3bf3  
1708 C6H2 hexatriyne c6h2  
1709 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1710 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1711 C6H4 Benzyne benzyne  
1712 C6H5 phenyl phenyl  
1713 C6H5- phenyl anion phenyl-  
1714 C6H6 Prismane prismane  
1715 C6H6 1,2,4,5-Hexatetraene ht1245  
1716 C6H6 2,4-Hexadiyne hexadiyne  
1717 C6H6 3,4-Dimethylenecyclobutene cb34m  
1718 C6H6 Benzene benzene  
1719 C6H6 Benzvalene bv  
1720 C6H6 Dewar Benzene dewar  
1721 C6H6 Hexa-1,5-diene-3-yne hdy153  
1722 C6H6 Trimethylenecycopropane tmcp  
1723 C6H6+ Benzene cation c6h6+  
1724 C6H7+ benzene, protonated c6h7+  
1725 C6H8 (E)-hexa-1,3,5-triene c821078  
1726 C6H8 (E)-hexa-2,3,4-triene c59660650  
1727 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1728 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1729 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1730 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1731 C6H8 3-Methylenecyclopentene c930267  
1732 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1733 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1734 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1735 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1736 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1737 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1738 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1739 C6H10 1,5-Hexadiene c592427  
1740 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1741 C6H10 1-Hexyne hexyne1  
1742 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1743 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1744 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1745 C6H10 2-Hexyne c764352  
1746 C6H10 3-Hexyne hexyne3  
1747 C6H10 cyclohexene cyclohexene  
1748 C6H10 Cyclopentene, 1-methyl- c693890  
1749 C6H10 Cyclopentene, 3-methyl- c1120623  
1750 C6H10 Cyclopentene, 4-methyl- c1759815  
1751 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1752 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1753 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1754 C6H12 (E)-2-Hexene e2hexene  
1755 C6H12 (E)-3-methylpent-2-ene c616126  
1756 C6H12 (E)-hex-3-ene e3hexene  
1757 C6H12 (Z)-3-methylpent-2-ene c922623  
1758 C6H12 (Z)-hex-2-ene z2hexene  
1759 C6H12 (Z)-hex-3-ene z3hexene  
1760 C6H12 2,3-dimethylbut-1-ene c563780  
1761 C6H12 2,3-dimethyl-but-2-ene tmeet  
1762 C6H12 3-methylenepentane c760214  
1763 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1764 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1765 C6H12 Cyclohexane cyclohexane  
1766 C6H12 Cyclopentane, methyl- c96377  
1767 C6H12 Ethylcyclobutane c4806615  
1768 C6H12 hex-1-ene hexene1  
1769 C6H14 Butane, 2,2-dimethyl- buta22  
1770 C6H14 Butane, 2,3-dimethyl- buta23  
1771 C6H14 Hexane hexane  
1772 C6H14 Pentane, 2-methyl- penta2  
1773 C6H14 Pentane, 3-methyl- penta3  
1774 C4N2 2-Butynedinitrile c4n2  
1775 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1776 C4H2N2 Fumaronitrile c4h2n2  
1777 C2H2N4 sym-tetrazine ttz  
1778 C3H3N3 1,3,5-Triazine triazine135  
1779 CH3N5 5-Aminotetrazole c4418615  
1780 C4H4N2 1,3-Diazine diazine13  
1781 C4H4N2 Pyrazine pyrazine  
1782 C4H4N2 Pyridazine pyridazine  
1783 C4H4N2 Succinonitrile c110612  
1784 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1785 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1786 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1787 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1788 C5H5N E-2,4-pentadienenitrile bdcn  
1789 C5H5N Pyridine pyridine  
1790 B3N3H6 borazine borazine  
1791 C6H6 Fulvene fulvene  
1792 C5H6N+ Pyridinium c5h6n  
1793 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1794 C5H7N (E)-2-Pentenenitrile c26294984  
1795 C5H7N (E)-3-Pentenenitrile c16529661  
1796 C5H7N (Z)-2-Pentenenitrile c25899507  
1797 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1798 C5H7N Cyclobutanecarbonitrile c4426113  
1799 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1800 C5H9N Butanenitrile, 2-methyl- c18936179  
1801 C5H9N Pentanenitrile c110598  
1802 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1803 C6H10 Bicyclo[3.1.0]hexane c285585  
1804 C5H11N Cyclopentanamine cypentam  
1805 C5H11N Piperidine piper  
1806 C4H12N2 1,2-Butanediamine c4426486  
1807 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1808 Li2CO3 Lithium Carbonate li2co3  
1809 Na2CO3 Sodium Carbonate na2co3  
1810 C2O4-- oxalate anion c2o4  
1811 MgSO4 Magnesium Sulfate mgso4  
1812 N2O4 Dinitrogen tetroxide n2o4  
1813 C3H2O3 vinylene carbonate vica  
1814 C2H2O4 Oxalic Acid oxalic  
1815 C2H3NO3 Oxamic acid oxamic  
1816 C4H4O2 2(5H)-Furanone furanone  
1817 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1818 C2H4N2O2 Oxalamide oxalamide  
1819 C2H4N2S2 Ethanedithioamide c79403  
1820 C2H4CO3 Ethylene carbonate etco3  
1821 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1822 C3H4S3 1,3-Dithiolane-2-thione c822388  
1823 C2H4O4 Formic acid dimer fadimer  
1824 C4H5NO 3-Methylisoxazole isox3m  
1825 C4H5NO Isoxazole, 5-methyl- c5765446  
1826 C4H5NS 4-Methylthiazole c693958  
1827 C2H5NO3 Nitric acid, ethyl ester c625581  
1828 C5H6O 2H-Pyran pyran2  
1829 C5H6O 2-methylfuran furan2m  
1830 C5H6O 3-Methylfuran furan3m  
1831 C5H6O Pentadienal pdal  
1832 C5H6S Thiophene, 2-methyl- c554143  
1833 C5H6S Thiophene, 3-methyl- c616444  
1834 C4H6O2 γ–Butyrolactone c96480  
1835 C4H6O2 2,3-Butanedione c431038  
1836 C4H6O2 2-Propenoic acid, methyl ester c96333  
1837 C4H6O2 Crotonic Acid crot  
1838 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1839 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1840 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1841 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1842 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1843 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1844 C4H6OS Vinyl sulfoxide c1115157  
1845 CH6N4S Carbonothioic dihydrazide thiacarb  
1846 C2H6N2O2 (E)-Azodioxymethane c37765154  
1847 C2H6N2O2 Dimethylnitroamine c4164287  
1848 C3H6O3 1,3,5-Trioxane trioxane  
1849 C3H6S3 1,3,5-Trithiane c3h6s3  
1850 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1851 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1852 C4H7NO 2-Pyrrolidinone c616455  
1853 C4H7NO Ethoxyacetonitrile etoaccn  
1854 C4H7NO Methacrylamide c79390  
1855 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1856 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1857 C3H7ONO Propyl nitrite prono  
1858 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1859 CH3CH(NH2)COOH Alanine alanine  
1860 CH3NHCH2COOH Sarcosine sarcosine  
1861 NH2CH2CH2COOH β–alanine betaalanine  
1862 NH2COOC2H5 Urethane urethane  
1863 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1864 C5H8O Cyclopentanone c120923  
1865 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1866 C5H8O Methyl cyclopropyl ketone c765435  
1867 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1868 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1869 NH2CONHC2H5 Urea, ethyl- c625525  
1870 C4H8O2 1,3-Dioxane dioxan13  
1871 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1872 C4H8O2 1,4-Dioxane dioxan14  
1873 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1874 C4H8O2 Ethyl acetate c141786  
1875 C4H8OS s-Ethyl thioacetate c625605  
1876 C3H8O3 1,2,3-Propanetriol glycerin  
1877 C3H8O2S (Methylsulfonyl)ethane c594434  
1878 C4H9NO Butanamide c541355  
1879 C4H9NO Propanamide, 2-methyl- c563837  
1880 C5H10O 2-Butanone, 3-methyl- c563804  
1881 C5H10O 2H-Pyran, tetrahydro- c142687  
1882 C5H10O 2-methylbutyraldehyde 2meba  
1883 C5H10O 2-Pentanone mpk  
1884 C5H10O 3-Pentanone dek  
1885 C5H10O Cyclopentanol c96413  
1886 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1887 C5H10O Pentanal pal  
1888 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1889 C5H10S 3-Ethylthio-1-propene c5296628  
1890 C5H10S Cyclopentanethiol c1679078  
1891 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1892 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1893 C4H10O2 1,1-Dimethoxyethane c534156  
1894 C4H10O2 1,3-Butanediol budiol13  
1895 C4H10O2 1,4-Butanediol budiol14  
1896 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1897 C4H10OS Diethyl sulfoxide c70291  
1898 C4H10S2 1,4-Butanedithiol budisl14  
1899 C4H11NO Diethylhydroxylamine c3710847  
1900 C5H12O 1-Butanol, 2-methyl- c137326  
1901 C5H12O 1-Butanol, 3-methyl- c123513  
1902 C5H12O 1-Pentanol pentanol1  
1903 C5H12O 2-Butanol, 3-methyl- c598754  
1904 C5H12O 2-Pentanol peol2  
1905 C5H12O 3-Pentanol pentan3ol  
1906 C5H12O Butane, 1-methoxy- meobu  
1907 C5H12O Propane, 1-ethoxy- proet  
1908 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1909 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1910 C5H12S 1-Butanethiol, 3-methyl- c541311  
1911 C5H12S 1-Pentanethiol c110667  
1912 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1913 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1914 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1915 C5H12S Butane, 1-(methylthio)- c628295  
1916 C5H12S Ethyl propyl sulfide c4110503  
1917 C5H12S Propane, 2-(ethylthio)- c5145993  
1918 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1919 C4F2 difluorobutadiyne c4f2  
1920 ClCOClCO Oxalyl chloride oxcl  
1921 CF3CN Acetonitrile, trifluoro- cf3cn  
1922 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1923 B2F4 Diboron tetrafluoride b2f4  
1924 B2Cl4 Diboron tetrachloride b2cl4  
1925 C2F4 Tetrafluoroethylene c2f4  
1926 C2F4+ Tetrafluoroethylene cation c2f4+  
1927 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1928 CF2CCl2 difluorodichloroethylene cf2ccl2  
1929 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1930 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1931 C2FCl3 fluorotrichloroethene c2fcl3  
1932 C2Cl4 Tetrachloroethylene c2cl4  
1933 C2Br4 tetrabromoethene c2br4  
1934 CF3OF Trifluoromethylhypofluorite cf3of  
1935 SiF5- silicon pentafluoride anion sif5-  
1936 SOF4 Sulfur tetrafluoride oxide sof4  
1937 PF5 Phosphorus pentafluoride pf5  
1938 AsF5 Arsenic pentafluoride asf5  
1939 PCl5 Phosphorus pentachloride pcl5  
1940 SF5 Sulfur pentafluoride sf5  
1941 SF5+ pentafluoro sulfur cation sf5+  
1942 SbCl5 Antimony pentachloride sbcl5  
1943 BrF5 bromine pentafluoride brf5  
1944 ClF5 chlorinepentafluoride clf5  
1945 IF5 pentafluoroiodine if5  
1946 CF3CHO trifluoroacetaldehyde cf3cho  
1947 CCl3CHO trichloroacetaldehyde ccl3cho  
1948 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1949 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1950 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1951 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1952 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1953 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1954 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1955 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1956 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1957 CF3COOH trifluoroacetic acid cf3cooh  
1958 C4H3ClO Furan, 2-chloro fur2cl  
1959 C4H3ClO Furan,3-chloro fur3cl  
1960 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1961 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1962 C4H8Cl2 1,4-Dichlorobutane c110565  
1963 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1964 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1965 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1966 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1967 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1968 C5H11Cl Pentane, 1-chloro- pencl1  
1969 C4H8O2 Butanoic acid bua  
1970 C6H5CH2 benzyl radical benzyl  
1971 C7H7 cycloheptatrienyl radical c7h7  
1972 C7H7+ cycloheptatrienyl cation c7h7+  
1973 C6H5CH3 toluene toluene  
1974 C7H8 cycloheptatriene cht  
1975 C7H8 Norbornadiene norbor  
1976 C7H8 Quadricyclane qucy  
1977 C7H12 Norbornane nor  
1978 C7H14 cycloheptane c7h14  
1979 C7H16 2-methylhexane 2mhex  
1980 C7H16 3-methylhexane hex3m  
1981 C7H16 heptane heptane  
1982 CH(CN)3 tricyanomethane mecn3  
1983 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1984 C6H7N 2-Methylpyridine mp  
1985 C6H5NH2 aniline aniline  
1986 C6H13N 2-Methylpiperidine pip2m  
1987 C6H13N cyclohexanamine cham  
1988 C6H15N triethylamine tea  
1989 N2O5 Dinitrogen pentoxide n2o5  
1990 C4H2O3 Maleic Anhydride malan  
1991 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1992 C5H4O2 furfural furfural  
1993 C6H5O phenoxy radical phenoxy  
1994 C5H5NO 2(1H)-Pyridinone c72762006  
1995 C5H5NO 2(3H)-Pyridinone c9000048  
1996 C5H5NO 2(5H)-Pyridinone c9000037  
1997 C5H5NO 2-Pyridinol c109104  
1998 C5H5NO 3(2H)-Pyridinone c9000004  
1999 C5H5NO 3(4H)-Pyridinone c9000026  
2000 C5H5NO 3(6H)-Pyridinone c9000015  
2001 C5H5NO 3-Pyridinol c109002  
2002 C5H5NO 4(1H)-Pryidinone c9000060  
2003 C5H5NO 4(3H)-Pryidinone c9000059  
2004 C5H5NO 4-Pyridinol c626642  
2005 C6H5OH phenol phenol  
2006 C6H6O 2,4-Cyclohexadienone c24599573  
2007 C6H6O 2,5-Cyclohexadienone c5664335  
2008 C6H5SH Benzenethiol phsh  
2009 HO2CCHNH2CH2OH Serine serine  
2010 C5H8O2 Acetylacetone acac  
2011 C4H8O2S Sulfolane sulfolane  
2012 C7H10 Norbornene norbornene  
2013 CH(C2H3)3 trivinyl methane tvm  
2014 C6H10O cyclohexanone chexo  
2015 C6H12O hexanal c6h12o  
2016 C6H12O Oxepane oxepane  
2017 C3H7OC3H7 di-n-propyl ether propr  
2018 F2CCCF2 tetrafluoroallene pfa  
2019 CF3COO- trifluoro acetate anion cf3coo-  
2020 CF3COF trifluoroacetyl fluoride cf3cof  
2021 CF3COCl trifluoroacetyl chloride cf3cocl  
2022 PF6 Hexafluorophosphate neutral pf6  
2023 PF6- Hexafluorophosphate ion pf6-  
2024 SF6 Sulfur Hexafluoride sf6  
2025 SeF6 Selenium hexafluoride sef6  
2026 SF5Cl sulfur chloropentafluoride sf5cl  
2027 CF3CHF2 pentafluoroethane cf3chf2  
2028 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2029 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2030 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2031 CCl3CHCl2 pentachloroethane ccl3chcl2  
2032 C6H5F Fluorobenzene bzf  
2033 C6H5Cl chlorobenzene bzcl  
2034 C6H5Br bromobenzene bzbr  
2035 C8H6 Calicene calicene  
2036 C6H5CCH phenylacetylene phac  
2037 C8H6 benzocyclobutadiene bcbd  
2038 C8H6 Pentalene pentalene  
2039 C6H5CHCH2 Styrene styrene  
2040 C8H8 cubane cubane  
2041 C8H8 cyclooctatetraene cot  
2042 C6H5CH2CH3 Ethylbenzene etbz  
2043 CH3C6H4CH3 meta-xylene mxylene  
2044 CH3C6H4CH3 paraxylene pxylene  
2045 C8H14 Bicyclo[2.2.2]octane bico222  
2046 C8H16 cyclooctane cyclooct  
2047 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2048 C8H18 Octane c8h18  
2049 C6H5CN phenyl cyanide phcn  
2050 C6H12N2 Triethylenediamine ted  
2051 C4O4-- squarate dianion c4o4--  
2052 S4N4 Tetrasulfur tetranitride s4n4  
2053 S8 Octasulfur s8  
2054 C6H4O2 parabenzoquinone pbq  
2055 C4H4N2O2 Uracil uracil  
2056 C6H5CHO benzaldehyde benzal  
2057 C6H5OCH3 Anisole anisole  
2058 C5H9NO2 Proline proline  
2059 C6H12O2 Methyl pivalate c598981  
2060 C6H12O2 Hexanoic acid hexa  
2061 C4F4 tetrafluorcyclobutadiene c4f4  
2062 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2063 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2064 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2065 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2066 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2067 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2068 C2F6 hexafluoroethane c2f6  
2069 C2Cl6 hexachloroethane c2cl6  
2070 IF7 Iodine heptafluoride if7  
2071 C6H4F2 metadifluorobenzene mdfb  
2072 C6H4F2 orthodifluorobenzene odfb  
2073 C6H4F2 1,4-difluorobenzene pdfb  
2074 C6H4Cl2 1,2-dichlorobenzene dcb12  
2075 C6H4Cl2 1,3-dichlorobenzene dcb13  
2076 C6H4Cl2 1,4-dichlorobenzene dcb14  
2077 C6H5NO nitrosobenzene bzno  
2078 C9H8 Indene indene  
2079 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2080 C9H12 n-propyl benzene prbz  
2081 C9H20 Nonane nonane  
2082 C(CN)4 tetracyanomethane c5n4  
2083 C5H4N4 purine purine  
2084 C8H7N Indole indole  
2085 C3H3N3O3 cyanuric acid cyanuric  
2086 C6H5NO2 Nitrobenzene c6h5no2  
2087 C6H5COOH benzoic acid benzo  
2088 CH3COC6H5 acetophenone acph  
2089 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2090 C3F6 hexafluoropropene c3f6  
2091 C6H3F3 Benzene trifluoride 123 bzf3a  
2092 C8H18O 1-Octanol octanol  
2093 C10H8 Azulene azu  
2094 C10H8 naphthalene naph  
2095 C10H10 bullvalene bullv  
2096 C10H16 adamantane adamantane  
2097 C6N4 Tetracyanoethylene tcne  
2098 C6N4- tetracyanoethylene anion tcne-  
2099 C10H22 Decane decane  
2100 C4F6 perfluorobutadiene c4f6  
2101 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2102 C3F8 perfluoropropane c3f8  
2103 Fe(CO)5 Iron pentacarbonyl ipc  
2104 Fe(C5H5)2 ferrocene fecp2  
2105 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2106 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2107 C12H8 Acenaphthylene acenaph  
2108 C12H8 biphenylene biph  
2109 C12H10 biphenyl biphenyl  
2110 C12H10 Heptalene heptalene  
2111 C6H12O6 Inositol inositol  
2112 C6F6 hexafluorobenzene c6f6  
2113 S2F10 disulphur decafluoride s2f10  
2114 C13H10 Fluorene fluorene  
2115 C14H10 Anthracene anth  
2116 C14H10 Phenanthrene phenanthrene  
2117 C14H14 Bibenzyl bibenzyl  
2118 C12H10N2 azobenzene azobenzene  
2119 C6H5COC6H5 benzophenone benzophenone  
2120 C16H10 Pyrene pyrene  
2121 C18H12 Tetracene tetracene  
2122 C19H16 Triphenylmethane tpm  
2123 C24H12 Coronene coronene  
2124 C60 Buckminsterfullerene c60