return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at QCISD(T) /STO-3G

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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 K Potassium atom 2SKh
5 LiH Lithium Hydride 1ΣC∞v
6 Be Beryllium atom 1SKh
7 Be+ Beryllium atom cation 2SKh
8 Mg Magnesium atom 1SKh
9 Mg+ Magnesium atom cation 2SKh
10 B Boron atom 2PKh
11 B Boron atom 4PKh
12 B+ Boron atom cation 1SKh
13 Al Aluminum atom 2PKh
14 Al+ Aluminum atom cation 1SKh
15 C Carbon atom 3P0Kh
16 C+ Carbon atom 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 cation 3PKh
34 HF Hydrogen fluoride 1ΣC∞v
35 HCl Hydrogen chloride 1ΣC∞v
36 Na2 Sodium diatomic 1ΣgD∞h
37 C2H2 Acetylene 1ΣgD∞h
38 C2H4 Ethylene 1AgD2h
39 C2H6 Ethane 1A1gD3d
40 BN boron nitride 3ΠC∞v
41 AlN Aluminum nitride 3ΠiC∞v
42 N2 Nitrogen diatomic 1ΣgD∞h
43 BO- boron monoxide anion 1ΣC∞v
44 CO Carbon monoxide 1ΣC∞v
45 CSe Carbon monoselenide 1ΣC∞v
46 NO Nitric oxide 2ΠC∞v
47 O2 Oxygen diatomic 3ΣgD∞h
48 SeS Selenium monosulfide 3ΣC∞v
49 H2CO Formaldehyde 1A1C2v
50 BF Boron monofluoride 1ΣC∞v
51 CF- carbon monofluoride anion 3ΣC∞v
52 F2 Fluorine diatomic 1ΣgD∞h
53 Cl2 Chlorine diatomic 1ΣgD∞h
54 C3H5 Allyl radical 2A2C2v
55 C3H6 Cyclopropane 1A1'D3h
56 CH2CHCH3 Propene 1A'Cs
57 CO2 Carbon dioxide 1ΣgD∞h
58 SO2 Sulfur dioxide 1A1C2v
59 BF3 Borane, trifluoro- 1A'D3h
60 AlF3 Aluminum trifluoride 1A1'D3h
61 NI3 Nitrogen triiodide   

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu Copper atom cu  
24 Cu- Copper atom anion cu-  
25 Cu+ Copper atom cation cu+  
26 LiH- lithium hydride anion lih-  
27 LiH+ lithium hydride cation lih+  
28 NaH sodium hydride nah  
29 NaH- sodium hydride anion nah-  
30 NaH+ sodium hydride cation nah+  
31 KH Potassium hydride kh  
32 KH+ Potassium hydrogen cation kh+  
33 CuH Copper monohydride cuh  
34 Be- Beryllium atom anion be-  
35 Mg- Magnesium atom anion mg-  
36 Ca Calcium atom ca  
37 Ca- Calcium atom anion ca-  
38 Ca+ Calcium atom cation ca+  
39 Zn Zinc atom zn  
40 Zn- Zinc atom anion zn-  
41 Zn+ Zinc atom cation zn+  
42 BeH beryllium monohydride beh  
43 BeH- berylium monohydride anion beh-  
44 BeH+ beryllium monohydride cation beh+  
45 MgH magnesium monohydride mgh  
46 MgH- magnesium monohydride anion mgh-  
47 MgH+ magnesium monohydride cation mgh+  
48 CaH Calcium monohydride cah  
49 CaH+ Calcium monohydride cation cah+  
50 TiH Titanium monohydride tih  
51 ZnH Zinc monohydride znh  
52 ZnH+ Zinc, protonated znh+  
53 BeH2 beryllium dihydride beh2  
54 BeH2+ Beryllium dihydride cation beh2+  
55 MgH2 magnesium dihydride mgh2  
56 CaH2 Calcium Hydride cah2  
57 ZnH2 Zinc hydride znh2  
58 B- Boron atom anion b-  
59 Al- Aluminum atom anion al-  
60 Sc Scandium atom sc  
61 Sc+ Scandium cation sc+  
62 Ga Gallium atom ga  
63 Ga- Gallium atom anion ga-  
64 Ga+ Gallium atom cation ga+  
65 BH Boron monohydride bh  
66 BH- boron monohydride anion bh-  
67 BH+ boron monohydride cation bh+  
68 AlH aluminum monohydride alh  
69 AlH- aluminum monohydride anion alh-  
70 AlH+ aluminum monohydride cation alh+  
71 ScH Scandium monohydride sch  
72 ScH+ Scandium monohydride cation sch+  
73 GaH Gallium monohydride gah  
74 GaH+ Gallium monohydride cation gah+  
75 BH2 boron dihydride bh2  
76 BH2- boron dihydride anion bh2-  
77 BH2+ Boron dihydride cation bh2+  
78 AlH2 aluminum dihydride alh2  
79 AlH2- aluminum dihydride anion alh2-  
80 AlH2+ aluminum dihydride cation alh2+  
81 BH3 boron trihydride bh3  
82 BH3- boron trihydride anion bh3-  
83 BH3+ boron trihydride cation bh3+  
84 AlH3 aluminum trihydride alh3  
85 AlH3- aluminum trihydride anion alh3-  
86 AlH3+ aluminum trihydride cation alh3+  
87 ScH3 Scandium trihydride sch3  
88 GaH3 Gallium trihydride gah3  
89 BH4 borohydride bh4  
90 BH4- borohydride anion bh4-  
91 AlH4- Aluminum tetrahydride anion alh4-  
92 C- Carbon atom anion c-  
93 Si- Silicon atom anion si-  
94 Ti Titanium atom ti  
95 Ti- Titanium atom anion ti-  
96 Ti+ Titanium atom cation ti+  
97 Ge Germanium atom ge  
98 Ge- Germanium anion ge-  
99 Ge+ Germanium cation ge+  
100 Sn Tin atom sn  
101 Sn+ Tin cation sn+  
102 CH Methylidyne ch  
103 CH- methylidyne anion ch-  
104 CH+ Methylidyne cation ch+  
105 SiH Silylidyne sih  
106 SiH- silicon monohydride anion sih-  
107 SiH+ silicon monohydride cation sih+  
108 GeH germylidene geh  
109 GeH+ Germaniun monohyrdide cation geh+  
110 CH2 Methylene ch2  
111 CH2- methylene anion ch2-  
112 CH2+ methylene cation ch2+  
113 SiH2 silicon dihydride sih2  
114 SiH2- silicon dihydride anion sih2-  
115 SiH2+ silicon dihydride cation sih2+  
116 GeH2 germylene geh2  
117 GeH2- germylene anion geh2-  
118 CH3 Methyl radical ch3  
119 CH3- methyl anion ch3-  
120 CH3+ methyl cation ch3+  
121 SiH3 Silyl radical sih3  
122 SiH3- Silyl anion sih3-  
123 SiH3+ Silyl cation sih3+  
124 GeH3 Germyl radical geh3  
125 GeH3+ germyl cation geh3+  
126 CD4 methane-d4 cd4  
127 CH2D2 methane-d2 ch2d2  
128 CH3D methane-d ch3d  
129 CH4- Methane anion ch4-  
130 CH4+ Methane cation ch4+  
131 CHD3 methane-d3 chd3  
132 SiH2D2 silane-d2 sih2d2  
133 SiH4 Silane sih4  
134 SiH4+ Silane cation sih4+  
135 GeH4 Germane geh4  
136 SnH4 Stannane snh4  
137 SiH5+ Silane, protonated sih5+  
138 N- Nitrogen atom anion n-  
139 P- Phosphorus atom anion p-  
140 P+ Phosphorus atom cation p+  
141 V Vanadium atom v  
142 V+ Vanadium atom cation v+  
143 As Arsenic atomic as  
144 As- Arsenic anion as-  
145 As+ Arsenic cation as+  
146 Sb Antimony atom sb  
147 NH Imidogen nh  
148 NH- Imidogen anion nh-  
149 NH+ imidogen cation nh+  
150 PH phosphorus monohydride ph  
151 PH- phosphorus monohydride anion ph-  
152 PH+ phosphorus monohydride cation ph+  
153 AsH Arsenic monohydride ash  
154 AsH+ Arsenic monohydride cation ash+  
155 SbH Antimony monohydride sbh  
156 ND2 Amidogen-d2 nd2  
157 NH2 Amino radical nh2  
158 NH2- amino anion nh2-  
159 NH2+ Amino cation nh2+  
160 PH2 Phosphino radical ph2  
161 PH2- Phosphino anion ph2-  
162 PH2+ Phosphino cation ph2+  
163 AsH2 Arsenic dihydride ash2  
164 AsH2+ Arsenic dihydride cation ash2+  
165 ND3 Ammonia-d3 nd3  
166 NH3- Ammonia anion nh3-  
167 NH3+ ammonia cation nh3+  
168 PH3 Phosphine ph3  
169 PH3+ Phosphine cation ph3+  
170 AsH3 Arsine ash3  
171 AsH3+ Arsine cation ash3+  
172 SbH3 Stibine sbh3  
173 AsH4+ Arsonium ash4+  
174 NH4 Ammonium radical nh4  
175 NH4+ ammonium cation nh4+  
176 PH4 Phosphoranyl radical ph4  
177 PH4+ phosphonium cation ph4+  
178 O- Oxygen atom anion o-  
179 S- Sulfur atom anion s-  
180 S+ Sulfur atom cation s+  
181 Cr Chromium atom cr  
182 Se Selenium atom se  
183 Se- Selenium atom anion se-  
184 Se+ Selenium atom cation se+  
185 Te Tellurium atom te  
186 Te+ Tellurium atom cation te+  
187 DO Hydroxyl-d od  
188 OH- hydroxide anion oh-  
189 OH+ hydoxyl cation oh+  
190 DS Mercapto-d ds  
191 HS Mercapto radical hs  
192 HS- mercapto anion sh-  
193 HS+ sulfur monohydride cation sh+  
194 CrH Chromium hydride crh  
195 CrH+ Chromium hydride cation crh+  
196 HSe Selenium monohydride hse  
197 HSe- selenium monohydride anion hse-  
198 HSe+ selenium monohydride cation hse+  
199 TeH Telluryl radical teh  
200 D2O Deuterium oxide d2o  
201 H2O- water anion h2o-  
202 H2O+ water cation h2o+  
203 HDO Water-d1 hdo  
204 D2S Hydrogen sulfide-d2 d2s  
205 H2S Hydrogen sulfide h2s  
206 H2S- Hydrogen sulfide anion h2s-  
207 H2S+ Hydrogen sulfide cation h2s+  
208 H2Se Hydrogen selenide h2se  
209 H2Se+ Hydrogen selenide cation h2se+  
210 H2Te Hydrogen Telluride h2te  
211 H3O+ hydronium cation h3o+  
212 H3S+ Sulfonium cation h3s+  
213 H3Se+ Hydrogen Selenide, protonated h3se+  
214 F- Fluorine atom anion f-  
215 Cl- Chlorine atom anion cl-  
216 Mn Manganese atom mn  
217 Br Bromine atom br  
218 Br- Bromine atom anion br-  
219 Br+ Bromine atom cation br+  
220 I Iodine atom iodine  
221 I- Iodine atom anion iodine-  
222 I+ Iodine atom cation iodine+  
223 DF Hydrofluoric acid-d df  
224 HF- hydrogen fluoride anion hf-  
225 HF+ hydrogen fluoride cation hf+  
226 DCl Hydrochloric acid-d dcl  
227 HCl- hydrogen chloride anion hcl-  
228 HCl+ hydrogen chloride cation hcl+  
229 HBr hydrogen bromide hbr  
230 HBr- hydrogen bromide anion hbr-  
231 HBr+ hydrogen bromide cation hbr+  
232 HI Hydrogen iodide hi  
233 HI+ Hydrogen iodide cation hi+  
234 H2F+ dihydrogen fluoride cation h2f+  
235 H2Cl+ dihydrogen monochloride cation h2cl+  
236 H2Br+ protonated hydrogen bromide h2br+  
237 H2I+ Iodonium h2i+  
238 Ne- Neon atom anion ne-  
239 Ne+ Neon atom cation ne+  
240 Ar- Argon atom anion ar-  
241 Ar+ Argon atom cation ar+  
242 Fe Iron atom fe  
243 Kr Krypton atom kr  
244 Kr+ Krypton cation kr+  
245 Xe Xenon atom xe  
246 HeLi+ Helium Lithium cation heli+  
247 NeH neon hydrogen neh  
248 NeH+ neon hydrogen cation neh+  
249 ArH+ Argon hydride cation arh+  
250 KrH+ Protonated Krypton krh+  
251 XeH+ Xenon, protonated xeh+  
252 H2Ar H2 Ar dimer h2ar  
253 Co Cobalt atom cobalt  
254 Ni Nickel atom ni  
255 Li2 Lithium diatomic li2  
256 Li2- lithium diatomic anion li2-  
257 Li2+ lithium diatomic cation li2+  
258 NaLi lithium sodium lina  
259 NaLi- lithium sodium anion lina-  
260 NaLi+ lithium sodium cation lina+  
261 LiK Lithium Potassium lik  
262 Na2- sodium diatomic anion na2-  
263 Na2+ sodium diatomic cation na2+  
264 NaK Sodium Potassium nak  
265 NaK+ Sodium Potassium diatomic cation nak+  
266 K2 Potassium diatomic k2  
267 Cu2 Copper diatomic cu2  
268 LiBe Lithium Beryllium libe  
269 LiMg Lithium magnesium limg  
270 NaBe Sodium Beryllium nabe  
271 NaMg Sodium Magnesium namg  
272 Be2 Beryllium diatomic be2  
273 Be2- Beryllium diatomic anion be2-  
274 Be2+ Beryllium diatomic cation be2+  
275 BeMg Beryllium Magnesium bemg  
276 Mg2 Magnesium diatomic mg2  
277 Mg2- magnesium diatomic anion mg2-  
278 Mg2+ magnesium diatomic cation mg2+  
279 Ca2 Calcium diatomic ca2  
280 LiB Lithium boride lib  
281 LiAl Lithium Aluminum lial  
282 NaAl Sodium aluminum naal  
283 BeB Beryllium monoboride beb  
284 B2 Boron diatomic b2  
285 B2- Boron diatomic anion b2-  
286 B2+ Boron diatomic cation b2+  
287 BAl Boron Aluminum bal  
288 Al2 Aluminum diatomic al2  
289 Al2- aluminum diatomic anion al2-  
290 Al2+ aluminum diatomic cation al2+  
291 BGa Boron Gallium bga  
292 AlGa Aluminum Gallium alga  
293 Ga2 Gallium diatomic ga2  
294 HBBH Diborane(2) hbbh  
295 LiBH4 Lithium borohydride libh4  
296 B2H4 Diborane(4) D2d b2h4  
297 HBHHBH Diborane(4) C2V hbhhbh  
298 B2H6 Diborane b2h6  
299 B2H6+ Diborane cation b2h6  
300 Al2H6 dialane al2h6  
301 Ga2H6 digallane ga2h6  
302 LiC Lithium Carbide lic  
303 BeC Beryllium Carbide bec  
304 CaC Calcium monocarbide cac  
305 BC boron monocarbide bc  
306 BC- boron monocarbide anion bc-  
307 BC+ boron monocarbide cation bc+  
308 AlC Aluminum carbide alc  
309 BSi Boron silicide bsi  
310 C2 Carbon diatomic c2  
311 C2- carbon diatomic anion c2-  
312 C2+ carbon diatomic cation c2+  
313 SiC silicon monocarbide sic  
314 SiC- silicon monocarbide anion sic-  
315 SiC+ silicon monocarbide cation sic+  
316 Si2 Silicon diatomic si2  
317 Si2- silcon diatomic anion si2-  
318 Si2+ silcon diatomic cation si2+  
319 GeC Germanium monocarbide gec  
320 SiGe Silicon Germanium sige  
321 Ge2 Germanium diatomic ge2  
322 C2H Ethynyl radical c2h  
323 C2H- Ethynyl anion c2h-  
324 C2H+ Ethynyl cation c2h+  
325 ZnCH2 Zinc methylene znch2  
326 C2H2+ acetylene cation c2h2+  
327 CCH2 vinylidene vinylidene  
328 H2CC- vinylidene anion h2cc-  
329 HCCH- acetylene anion c2h2-  
330 Si2H2 disilyne si2h2  
331 CH3Li methyl lithium ch3li  
332 CuCH3 monomethyl copper cuch3  
333 ZnCH3 Zinc monomethyl znch3  
334 CH2BH methyleneborane ch2bh  
335 C2H3 vinyl c2h3  
336 C2H3- vinyl anion c2h3-  
337 C2H3+ vinyl cation c2h3+  
338 C2H4- Ethylene anion c2h4-  
339 C2H4+ Ethylene cation c2h4+  
340 CH3CH methylmethylene ch3ch  
341 CH2SiH2 silaethylene ch2sih2  
342 Si2H4 Disilene si2h4  
343 CH3BH2 methylborane ch3bh2  
344 C2H5 Ethyl radical c2h5  
345 C2H5- Ethyl anion c2h5-  
346 C2H5+ Ethyl cation c2h5+  
347 C2H6+ ethane cation c2h6+  
348 CH3SiH3 methyl silane ch3sih3  
349 Si2H6 disilane si2h6  
350 GeH3CH3 methyl germane geh3ch3  
351 C2H7+ Ethane, protonated c2h7+  
352 LiN Lithium Nitride lin  
353 LiN+ Lithium Nitride cation lin+  
354 LiP Lithium monophosphide lip  
355 BeN Beryllium mononitride ben  
356 BeN- Beryllium mononitride anion ben-  
357 BeN+ Beryllium mononitride cation ben+  
358 MgN Magnesium Nitride mgn  
359 BN- boron nitride anion bn-  
360 AlN- aluminum mononitride anion aln-  
361 AlN+ aluminum mononitride cation aln+  
362 BP Boron monophosphide bp  
363 AlP Aluminum monophosphide alp  
364 GaN Gallium mononitride gan  
365 GaP Gallium monophosphide gap  
366 GaAs Gallium arsenide gaas  
367 BN+ boron nitride cation bn+  
368 CN Cyano radical cn  
369 CN- cyanide anion cn-  
370 CN+ Cyano cation cn+  
371 CP Carbon monophosphide cp  
372 CP- carbon monophosphide anion cp-  
373 CP+ carbon monophosphide cation cp+  
374 SiN Silicon nitride sin  
375 SiN- silicon mononitride anion sin-  
376 SiN+ silicon mononitride cation sin+  
377 SiP Silicon monophosphide sip  
378 SiP- Silicon monophosphide anion sip-  
379 SiP+ Silicon monophosphide cation sip+  
380 TiN Titanium mononitride tin  
381 N2- nitrogen diatomic anion n2-  
382 N2+ diatomic nitrogen cation n2+  
383 PN Phosphorus mononitride pn  
384 PN- phosphorus nitride anion pn-  
385 PN+ phosphorus nitride cation pn+  
386 P2 Phosphorus diatomic p2  
387 P2- phosphorus diatomic anion p2-  
388 P2+ phosphorus diatomic cation p2+  
389 AsN Arsenic mononitride asn  
390 AsP Arsenic monophosphide asp  
391 SbN Antimony nitride sbn  
392 As2 Arsenic diatomic as2  
393 HNB hydrogen nitrogen boron hnb  
394 HNC hydrogen isocyanide hnc  
395 HCN Hydrogen cyanide hcn  
396 HCN- Hydrogen cyanide anion hcn-  
397 HCN+ hydrogen cyanide cation hcn+  
398 HNC+ hydrogen isocyanide cation hnc+  
399 HCP Phosphaethyne hcp  
400 HCP+ Phosphaethyne cation hcp+  
401 NNH Dinitrogen monohydride nnh  
402 NNH+ Dinitrogen monohydride cation nnh+  
403 HPO Hydrogen phosphorus oxide hpo  
404 HPO+ Hydrogen phosphorus oxide cation hpo+  
405 LiNH2 lithium amide linh2  
406 HBNH Boranimine hbnh  
407 CNH2 Aminomethylidyne radical cnh2  
408 CNH2+ N-protonated hydrogen isocyanide cnh2+  
409 H2CN Dihydrogen cyanide radical h2cn  
410 H2CN+ hydrocyanonium cation h2cn+  
411 HCNH methyleneazane hcnh  
412 HCNH+ N-protonated HCN hcnh+  
413 H2NN Isodiazene h2nn  
414 N2H2 (E)-diazene n2h2  
415 N2H2 (Z)-Diazene n2h2z  
416 N2H2+ trans-diazene cation n2h2+  
417 CH2NH Methanimine ch3n  
418 CH2NH+ Methanimine cation ch2nh+  
419 CHNH2 aminomethylene chnh2  
420 CHNH2+ Aminocarbene cation chnh2+  
421 CH2PH Phosphaethene ch3p  
422 BH2NH2 Boranamine bh2nh2  
423 CH2NH2+ methyleneamine cation ch2nh2+  
424 N2H4 Hydrazine n2h4  
425 N2H4+ hydrazine cation n2h4+  
426 P2H4 Diphosphine p2h4  
427 CH3NH2 methyl amine ch3nh2  
428 CH3NH2+ methyl amine cation ch3nh2+  
429 CH3PH2 Methyl phosphine ch3ph2  
430 SiH3NH2 Silane, amino sih3nh2  
431 N2H5+ protonated hydrazine n2h5+  
432 BH3PH3 borane phosphine bh3ph3  
433 BH3NH3 borane ammonia bh3nh3  
434 CH3NH3 methyl ammonium radical ch3nh3  
435 CH3NH3+ protonated methylamine ch3nh3+  
436 CH3PH3+ methyl phosphine, protonated ch3ph3+  
437 NH3NH3 Ammonia Dimer nh3nh3  
438 N2H7+ ammonia ammonium dimer n2h7+  
439 LiO lithium oxide lio  
440 LiO- lithium oxide anion lio-  
441 LiO+ lithium oxide cation lio+  
442 LiS Lithium monosulfide lis  
443 LiS+ Lithium sulfide cation lis+  
444 NaO sodium monoxide nao  
445 NaO- sodium oxide anion nao-  
446 NaO+ sodium oxide cation nao+  
447 KO Potassium monoxide ko  
448 KO+ Potassium monoxide cation ko+  
449 NaS Sodium sulfide nas  
450 CuO Copper Monoxide cuo  
451 LiSe Lithium monoselenide lise  
452 BeO beryllium oxide beo  
453 BeO- Beryllium monoxide anion beo-  
454 BeO+ Beryllium monoxide cation beo+  
455 BeS beryllium sulfide bes  
456 MgO magnesium oxide mgo  
457 MgO- magnesium oxide anion mgo-  
458 MgO+ magnesium oxide cation mgo+  
459 CaO Calcium monoxide cao  
460 MgS magnesium sulfide mgs  
461 MgS- magnesium sulfide anion mgs-  
462 MgS+ magnesium sulfide cation mgs+  
463 CaS Calcium sulfide cas  
464 ZnO zinc monoxide zno  
465 ZnS Zinc sulfide zns  
466 BeS- Beryllium monosulfide anion bes-  
467 BeS+ Beryllium monosulfide cation bes+  
468 BO boron monoxide bo  
469 AlO Aluminum monoxide alo  
470 AlO- Aluminum monoxide anion alo-  
471 AlO+ aluminum monoxide cation alo+  
472 BS boron sulfide bs  
473 BS- boron monosulfide anion bs-  
474 BS+ boron monosulfide cation bs+  
475 AlS Aluminum sulfide als  
476 AlS- aluminum monosulfide anion als-  
477 AlS+ aluminum monosulfide cation als+  
478 ScO Scandium monoxide sco  
479 GaO Gallium monoxide gao  
480 GaS Gallium monosulfide gas  
481 BO+ boron monoxide cation bo+  
482 CO- carbon monoxide anion co-  
483 CO+ carbon monoxide cation co+  
484 CS carbon monosulfide cs  
485 CS- carbon monosulfide anion cs-  
486 CS+ carbon monosulfide cation cs+  
487 SiO Silicon monoxide sio  
488 SiO- silicon monoxide anion sio-  
489 SiO+ silicon monoxide cation sio+  
490 SiS silicon monosulfide sis  
491 SiS- silicon monosulfide anion sis-  
492 SiS+ silicon monosulfide cation sis+  
493 TiO Titanium monoxide tio  
494 CSe- Carbon monoselenide anion cse-  
495 CSe+ Carbon monoselenide cation cse+  
496 GeO Germanium monoxide geo  
497 GeO+ Germanium monoxide cation geo+  
498 GeS Germanium monosulfide ges  
499 SiSe Silicon Monoselenide sise  
500 SiSe+ Silicon Monoselenide cation sise+  
501 GeSe Germanium monoselenide gese  
502 NO- nitric oxide anion no-  
503 NO+ nitric oxide cation no+  
504 NS Mononitrogen monosulfide ns  
505 NS- nitrogen sulfide anion ns-  
506 NS+ nitrogen sulfide cation ns+  
507 PO Phosphorus monoxide po  
508 PO- phosphorus monoxide anion po-  
509 PO+ phosphorus monoxide cation po+  
510 PS phosphorus sulfide ps  
511 PS- phosphorus monosulfide anion ps-  
512 PS+ phosphorus monosulfide cation ps+  
513 VO Vanadium monoxide vo  
514 AsO Arsenic monoxide aso  
515 NSe Nitrogen monoselenide nse  
516 AsS Arsenic monosulfide ass  
517 PSe Phosphorus monoselenide pse  
518 AsSe Arsenic monoselenide asse  
519 O2- oxygen diatomic anion o2-  
520 O2-- dioxygen dianion o2--  
521 O2+ diatomic oxygen cation o2+  
522 SO Sulfur monoxide so  
523 SO- sulfur monoxide anion so-  
524 SO+ sulfur monoxide cation so+  
525 S2 Sulfur diatomic s2  
526 S2- sulfur diatomic anion s2-  
527 S2+ sulfur diatomic cation s2+  
528 SeO Selenium monoxide seo  
529 SeO- selenium monoxide anion seo-  
530 SeO+ selenium monoxide cation seo+  
531 SeS- selenium monosulfide anion ses-  
532 SeS+ selenium monosulfide cation ses+  
533 TeO Tellurium monoxide teo  
534 Se2 Selenium diatomic se2  
535 Se2- selenium diatomic anion se2-  
536 Se2+ selenium diatomic cation se2+  
537 Te2 Tellurium diatomic te2  
538 LiOH lithium hydroxide lioh  
539 NaOH sodium hydroxide naoh  
540 KOH Potassium hydroxide koh  
541 BeOH beryllium monohydroxide beoh  
542 MgOH magnesium hydroxide mgoh  
543 CaOH Calcium monohydroxide caoh  
544 HBO Boron hydride oxide hbo  
545 HBS hydrogen boron sulfide hbs  
546 COH Hydroxymethylidyne coh  
547 COH+ Carbon Monoxide, protonated coh+  
548 HCO Formyl radical hco  
549 HCO- formyl anion hco-  
550 HCO+ Formyl cation hco+  
551 HCS Thioformyl radical hcs  
552 HCS- Thioformyl anion hcs-  
553 HCS+ Thioformyl cation hcs+  
554 HNO Nitrosyl hydride hno  
555 HNO- Nitrosyl hydride anion hno-  
556 HNO+ Nitrosyl hydride cation hno+  
557 NOH Hydroxyimidogen noh  
558 NOH+ O-protonated nitric oxide noh+  
559 HNS Sulfur imide hns  
560 HNS- Sulfur imide anion hns-  
561 HO2 Hydroperoxy radical ho2  
562 HO2- Hydroperoxy anion ho2-  
563 HO2+ Hydroperoxy cation ho2+  
564 HSO+ Sulfur Monoxide, S-protonated HSO+  
565 SOH Sulfur Hydroxide soh  
566 SOH+ Sulfur Monoxide, protonated soh+  
567 HS2 Thiosulfeno radical hs2  
568 H2CO- formaldehyde anion h2co-  
569 H2CO+ formaldehyde cation h2co+  
570 HOCH hydroxycarbene hoch  
571 H2CS Thioformaldehyde h2cs  
572 H2CS- thioformaldehyde anion h2cs-  
573 H2CS+ thioformaldehyde cation h2cs+  
574 H2CSe Selenoformaldehyde h2cse  
575 H2NO nitroxide h2no  
576 H2O2 Hydrogen peroxide h2o2  
577 H2O2+ Hydrogen peroxide cation h2o2+  
578 H2OO water oxide h2oo  
579 HOSH hydrogen thioperoxide hosh  
580 H2S2 Disulfane h2s2  
581 H2S2+ hydrogen disulfide cation h2s2+  
582 H2Se2 hydrogen diselenide h2se2  
583 CH2OH Hydroxymethyl radical ch2oh  
584 CH2OH+ hydroxymethyl cation ch2oh+  
585 CH3O Methoxy radical ch3o  
586 CH3O- methoxy anion ch3o-  
587 CH3O+ Methoxy cation ch3o+  
588 CH3S thiomethoxy ch3s  
589 H2CSH+ Thioformaldehyde, protonated h2csh+  
590 NH2OH hydroxylamine nh2oh  
591 NH2OH+ Hydroxylamine cation nh2oh+  
592 NH3O Ammonia Oxide nh3o  
593 H2POH Phosphinous acid h2poh  
594 H3PO Phosphine oxide h3po  
595 NH2SH Thiohydroxylamine nh2sh  
596 NH3S sulfidoazane nh3s  
597 H3O2+ hydrogen peroxide, protonated h3o2+  
598 CH3OH Methyl alcohol ch3oh  
599 CH3OH- Methyl alcohol anion ch3oh-  
600 CH3OH+ Methyl alcohol cation ch3oh+  
601 CH3SH Methanethiol ch3sh  
602 CH3SH+ Methanethiol cation ch3sh+  
603 SiH3OH silanol sih3oh  
604 CH3SeH Methane selenol ch3seh  
605 NH2OH2+ protonated hydroxylamine nh2oh2+  
606 NH3OH+ N-protonated hydroxylamine nh3oh+  
607 H2OH2O water dimer h2oh2o  
608 CH3OH2+ Methanol, protonated ch3oh2+  
609 CH3SH2+ protonated methylsulfide ch3sh2+  
610 H2ONH3 Water Ammonia Dimer h2onh3  
611 H5O2+ Dihydroxonium ion h5o2+  
612 LiF lithium fluoride lif  
613 LiCl lithium chloride licl  
614 LiCl- lithium chloride anion licl-  
615 LiCl+ lithium chloride cation licl+  
616 NaF sodium fluoride naf  
617 NaF- sodium fluoride anion naf-  
618 NaF+ sodium fluoride cation naf+  
619 KF Potassium Fluoride kf  
620 NaCl Sodium Chloride nacl  
621 NaCl- sodium chloride anion nacl-  
622 NaCl+ sodium chloride cation nacl+  
623 KCl Potassium Chloride kcl  
624 CuF Copper monofluoride cuf  
625 LiBr Lithium Bromide libr  
626 LiBr- lithium bromide anion libr-  
627 LiBr+ lithium bromide cation libr+  
628 CuCl Copper monochloride cucl  
629 NaBr Sodium Bromide nabr  
630 NaBr- sodium bromide anion nabr-  
631 NaBr+ sodium bromide cation nabr+  
632 KBr Potassium Bromide kbr  
633 LiI Lithium Iodide lii  
634 NaI Sodium Iodide nai  
635 KI Potassium Iodide ki  
636 LiF- lithium fluoride anion lif-  
637 LiF+ lithium fluoride cation lif+  
638 BeF Beryllium monofluoride bef  
639 BeF- Beryllium monofluoride anion bef-  
640 BeF+ Beryllium monofluoride cation bef+  
641 BeCl beryllium monochloride becl  
642 MgF Magnesium monofluoride mgf  
643 MgF- magnesium fluoride anion mgf-  
644 MgF+ magnesium fluoride cation mgf+  
645 CaF Calcium monofluoride caf  
646 MgCl magnesium monochloride mgcl  
647 MgCl- magnesium monochloride anion mgcl-  
648 MgCl+ magnesium monochloride cation mgcl+  
649 CaCl calcium monochloride cacl  
650 TiCl Titanium Monochloride ticl  
651 ZnF Zinc monofluoride znf  
652 ZnF- Zinc monofluoride anion znf-  
653 ZnF+ Zinc monofluoride cation znf+  
654 ZnCl Zinc monochloride zncl  
655 CaBr Calcium monobromide cabr  
656 BeCl- beryllium monochloride anion becl-  
657 BeCl+ beryllium monochloride cation becl+  
658 BF- Boron monofluoride anion bf-  
659 BF+ Boron monofluoride cation bf+  
660 AlF Aluminum monofluoride alf  
661 AlF- Aluminum monofluoride anion alf-  
662 AlF+ Aluminum monofluoride cation alf+  
663 BCl boron monochloride bcl  
664 BCl- boron monochloride anion bcl-  
665 BCl+ boron monochloride cation bcl+  
666 AlCl Aluminum monochloride alcl  
667 AlCl- aluminum monochloride anion alcl-  
668 AlCl+ aluminum monochloride cation alcl+  
669 ScF Scandium monofluoride scf  
670 BBr Boron monobromide bbr  
671 GaF Gallium monofluoride gaf  
672 GaF+ Gallium monofluoride cation gaf+  
673 AlBr Aluminum monobromide albr  
674 GaCl Gallium monochloride gacl  
675 GaCl+ Gallium monochloride cation gacl+  
676 AlI Aluminum monoiodide ali  
677 GaBr Gallium monobromide gabr  
678 CF Fluoromethylidyne cf  
679 CF+ carbon monofluoride cation cf+  
680 CCl carbon monochloride ccl  
681 CCl- carbon monochloride anion ccl-  
682 CCl+ carbon monochloride cation ccl+  
683 SiF silicon monofluoride sif  
684 SiF- silicon monofluoride anion sif-  
685 SiF+ silicon monofluoride cation sif+  
686 SiCl Clorosilylidyne sicl  
687 SiCl- silicon monochloride anion sicl-  
688 SiCl+ silicon monochloride cation sicl+  
689 CBr Carbon monobromide cbr  
690 GeF Germanium monofluoride gef  
691 GeF+ Germanium monofluoride cation gef+  
692 GeCl Germanium monochloride gecl  
693 GeCl+ Germanium monochloride cation gecl+  
694 SiBr Silicon monobromide sibr  
695 SiBr+ Silicon monobromide cation sibr+  
696 NF nitrogen fluoride nf  
697 NF- nitrogen monofluorine anion nf-  
698 NF+ nitrogen monofluoirde cation nf+  
699 NCl nitrogen monochloride ncl  
700 NCl- nitrogen monochloride anion ncl-  
701 NCl+ nitrogen monochloride cation ncl+  
702 PF phosphorus monofluoride pf  
703 PF- phosphorus monofluoride anion pf-  
704 PF+ phosphorus monofluoride cation pf+  
705 PCl phosphorus chloride pcl  
706 PCl- phosphorus monochloride anion pcl-  
707 PCl+ phosphorus monochloride cation pcl+  
708 AsF Arsenic monofluoride asf  
709 NBr nitrogen monobromide nbr  
710 AsCl Arsenic monochloride ascl  
711 PBr Phosphorus monobromide pbr  
712 SbF Antimony monofluoride sbf  
713 SbCl Antimony monochloride sbcl  
714 FO Oxygen monofluoride fo  
715 FO- flourine oxide anion fo-  
716 FO+ fluorine monoxide cation fo+  
717 ClO Monochlorine monoxide clo  
718 ClO- chlorine monoxide anion clo-  
719 ClO+ chlorine monoxide cation clo+  
720 SF Monosulfur monofluoride sf  
721 SF- sulfur monofluoride anion sf-  
722 SF+ sulfur monofluoride cation sf+  
723 SCl sulfur monochloride scl  
724 SCl- sulfur monochloride anion scl-  
725 SCl+ sulfur monochloride cation scl+  
726 BrO Bromine monoxide bro  
727 BrO- Bromine monoxide anion bro-  
728 BrO+ Bromine monoxide cation bro+  
729 SeF Selenium monofluoride sef  
730 SBr Sulfur monobromide radical sbr  
731 SBr+ Sulfur monobromide cation sbr+  
732 SeCl Selenium monochloride secl  
733 IO Iodine monoxide io  
734 SeBr Selenium monobromide sebr  
735 BrCl Bromine monochloride brcl  
736 F2- flourine diatomic anion f2-  
737 F2+ flourine diatomic cation f2+  
738 ClF Chlorine monofluoride clf  
739 ClF- clorine monofluoride anion clf-  
740 ClF+ clorine monofluoride cation clf+  
741 Cl2- chlorine diatomic anion cl2-  
742 Cl2+ chlorine diatomic cation cl2+  
743 BrF Bromine monofluoride brf  
744 BrF- bromine fluoride anion brf-  
745 BrF+ bromine fluoride cation brf+  
746 BrCl- bromine chloride anion brcl-  
747 BrCl+ bromine chloride cation brcl+  
748 IF Iodine monofluoride if  
749 Br2 Bromine diatomic br2  
750 Br2- bromine diatomic anion br2-  
751 Br2+ bromine diatomic cation br2+  
752 ICl Iodine monochloride icl  
753 IBr Iodine monobromide ibr  
754 I2 Iodine diatomic i2  
755 I2+ Iodine diatomic cation i2+  
756 HCF Fluoromethylene hcf  
757 HCCl Chloromethylene hccl  
758 HSiF fluorosilylene hsif  
759 HSiCl Chlorosilylene hsicl  
760 HSiBr monobromosilylene hsibr  
761 CHBr bromomethylene chbr  
762 HOF Hypofluorous acid hfo  
763 DOCl Hypochlorous acid-d docl  
764 HOCl hypochlorous acid hocl  
765 HOCl+ hypochlorous acid cation hocl+  
766 HOBr Hypobromous acid hobr  
767 HOBr+ Hypobromous acid cation hobr+  
768 HOI Hypoiodous acid hoi  
769 F2H+ Fluorine, protonated f2h+  
770 FHF Hydrogen difluoride fhf  
771 FHF- Hydrogen difluoride anion fhf-  
772 ClFH+ Chlorine fluoride, F-protonated clfh+  
773 FClH+ Chlorine fluoride, Cl-protonated fclh+  
774 Cl2H+ Chlorine, protonated cl2h+  
775 CH2Br bromomethyl radical ch2br  
776 CH2F fluoromethyl radical ch2f  
777 CH2F+ fluoromethyl cation ch2f+  
778 CH2Cl+ chloromethyl cation ch2cl+  
779 CH2Cl chloromethyl radical ch2cl  
780 NH2F monofluoroamine nh2f  
781 NH2Cl chloramine nh2cl  
782 H2F2 Hydrogen fluoride dimer h2f2  
783 CH3F+ methyl fluoride cation ch3f+  
784 CD3F methylfluoride-d3 cd3f  
785 CH3F Methyl fluoride ch3f  
786 CD3Cl methyl chloride d3 cd3cl  
787 CH3Cl Methyl chloride ch3cl  
788 CH3Cl+ Methyl chloride cation ch3cl+  
789 SiH3F monofluorosilane sih3f  
790 SiH3Cl chlorosilane sih3cl  
791 CH3Br methyl bromide ch3br  
792 GeH3F monofluorogermane geh3f  
793 GeH3Cl monochlorogermane geh3cl  
794 SiH3Br bromosilane sih3br  
795 CH3I methyl iodide ch3i  
796 SiH3I Silyl Iodide sih3i  
797 NH3Cl+ protonated monochloroammonia nh3cl+  
798 CH3ClH+ methyl chloride, protonated ch3clh+  
799 NH4Cl Ammonium chloride nh4cl  
800 LiNe+ Lithium Neon cation line+  
801 Ne2 Neon diatomic ne2  
802 Ne2+ Neon diatomic cation ne2+  
803 Ar2 Argon diatomic ar2  
804 Ar2+ Argon diatomic cation ar2+  
805 Li3 Lithium trimer li3  
806 Li3+ Lithium trimer cation li3+  
807 C3 carbon trimer c3  
808 C3+ carbon trimer cation c3+  
809 SiC2 Silicon dicarbide sic2  
810 C3H3 cyclopropenyl radical cpr  
811 C3H3 Propargyl radical propargyl  
812 C3H3- Propargyl anion c3h3-  
813 C3H3+ cyclopropenyl cation cpr+  
814 C3H3+ Propargyl cation c3h3+  
815 C3H4 cyclopropene cprop  
816 CH2CCH2 allene allene  
817 CH3CCH propyne propyne  
818 C3H5+ Allyl cation allyl+  
819 CH3CHCH 1-propenyl radical ch3chch  
820 Zn(CH3)2 dimethyl zinc dmz  
821 C3H7 n-Propyl radical npropyl  
822 C3H7+ cyclopropane, protonated c3h7+  
823 CH3CHCH3 Isopropyl radical isopropyl  
824 CH3CHCH3+ Isopropyl cation prop2yl+  
825 C3H8 Propane propane  
826 SiH2(CH3)2 dimethylsilane dms  
827 Si3H8 trisilane si3h8  
828 LiCN lithium cyanide licn  
829 NaCN Sodium Cyanide nacn  
830 KCN Potassium cyanide kcn  
831 CuCN Copper cyanide cucn  
832 ZnCN Zinc monocyanide zncn  
833 ZnNC Zinc isocyanide znnc  
834 AlCN Aluminum monocyanide alcn  
835 AlNC Aluminum isocyanide alnc  
836 CN2 3H-Diazirin-3-ylidene cn2  
837 CNN Diazocarbene cnn  
838 NCN Cyanoimidogen ncn  
839 N3 azide radical n3  
840 N3- azide anion n3-  
841 N3+ azide cation n3+  
842 HCCN cyanomethylene hccn  
843 HCNN diazomethyl radical hcnn  
844 HN3 hydrogen azide hn3  
845 HN3+ Hydrazoic acid cation hn3+  
846 HNCNH diiminomethane hncnh  
847 CH2N2 diazirine ch2n2  
848 CH2NN diazomethane ch2nn  
849 NH2CN cyanamide cyanamide  
850 HNNNH+ 1,2-Triazadienium n2h3+  
851 NH2NN+ hydrazoic acid, protonated nh2nn+  
852 CH3CN Acetonitrile ch3cn  
853 CH3CN- acetonitrile anion ch3cn-  
854 CH3CN+ Acetonitrile cation ch3cn+  
855 CH3NC methyl isocyanide ch3nc  
856 CHNCH2 2H-Azirine c157164  
857 CHNHCH 1H-Azirine chnhch  
858 H2CCNH Ethenimine ch2cnh  
859 H2CNCH methyleneaminomethylene ch2nch  
860 HCCNH2 Ethynamine hccnh2  
861 HCNCH2+ 2H-Azirine cation hcnch2+  
862 HNCNH2+ diiminomethane, protonated hncnh2+  
863 NCNH3+ Cyanamide, protonated ncnh3+  
864 NH2CNH+ cyanamide, cn protonated nh2cnh+  
865 NH3CN+ cyanamide, amine protonated nh3cn+  
866 CH2CHNH vinylazine ch2chnh  
867 CH3CHN methylmethaniminyl radical ch3chn  
868 NHCHNH2 aminomethanimine cn2h4  
869 C2H5N Aziridine c2h5n  
870 CH2CHNH2 aminoethene aminoethene  
871 CH2NCH3 N-methylmethanimine nmm  
872 CH3CHNH ethanimine ethanimine  
873 NH2BHNH2 diaminoborane nh2bhnh2  
874 C2H5NH+ Protonated Aziridine c2h5nh+  
875 C2H6N+ aziridine, protonated c2h6n+  
876 NH2CH2NH2 diaminomethane nh2ch2nh2  
877 CH3CH2NH2 Ethylamine etam  
878 CH3NHCH3 Dimethylamine ch3nhch3  
879 CH3PHCH3 dimethylphosphine ch3phch3  
880 NH2CH2NH3+ diaminoethane, protonated pdam  
881 (CH3)2NH2+ dimethylammonium cation dmam  
882 CH3CH2NH3+ ethylamine, protonated pea  
883 Li2O dilithium oxide li2o  
884 Li2O+ dilithium oxide cation li2o+  
885 Li2S dilithium sulfide li2s  
886 Na2O disodium monoxide na2o  
887 Na2S Sodium sulfide na2s  
888 LiO2 Lithium dioxide lio2  
889 NaO2 Sodium superoxide nao2  
890 CCO Dicarbon monoxide cco  
891 CNO- fulminate cno-  
892 NCO isocyanato radical nco  
893 NCO- cyanate nco-  
894 SCN thiocyanato radical scn  
895 SCN- thiocyanide anion scn-  
896 BO2 Boron dioxide bo2  
897 BO2- Boron dioxide anion bo2-  
898 BO2+ Boron dioxide cation bo2+  
899 N2O Nitrous oxide n2o  
900 N2O- Nitrous oxide anion n2o-  
901 N2O+ Nitrous oxide cation n2o+  
902 NNS Nitrogen sulfide nns  
903 PPO Phosphorus oxide phosphide ppo  
904 CO2- Carbon dioxide anion co2-  
905 CO2+ Carbon dioxide cation co2+  
906 OCS Carbonyl sulfide cos  
907 OCS+ Carbonyl sulfide cation cos+  
908 SiO2 silicon dioxide sio2  
909 CS2 Carbon disulfide cs2  
910 CS2- Carbon disulfide anion cs2-  
911 CS2+ Carbon disulfide cation cs2+  
912 TiO2 Titanium dioxide tio2  
913 SiS2 Silicon disulfide sis2  
914 GeO2 Germanium dioxide geo2  
915 OCSe Carbonyl selenide ocse  
916 SCSe Carbon sulfide selenide scse  
917 GeS2 Germanium disulfide ges2  
918 CSe2 Carbon diselenide cse2  
919 SCTe Carbon sulfide Telluride scte  
920 NO2 Nitrogen dioxide no2  
921 NO2- Nitrogen dioxide anion no2-  
922 NO2+ Nitrogen dioxide cation no2+  
923 NSO sulfinyl amidogen NSO  
924 PO2 Phosphorus dioxide po2  
925 PO2- Phosphorus dioxide anion po2-  
926 PO2+ Phosphorus dioxide cation po2+  
927 SNO Nitrogen oxide sulfide sno  
928 AsO2 Aresenic dioxide aso2  
929 O3 Ozone o3  
930 O3- Ozone anion o3-  
931 O3+ Ozone cation o3+  
932 SO2- Sulfur dioxide anion so2-  
933 SO2+ Sulfur dioxide cation so2+  
934 SSO Disulfur monoxide sso  
935 S3 Sulfur trimer s3  
936 S3- Sulfur trimer anion s3-  
937 S3+ Sulfur trimer cation s3+  
938 SeO2 Selenium dioxide seo2  
939 SeO2+ Selenium dioxide cation seo2+  
940 TeO2 Tellurium Dioxide teo2  
941 HCCO ketenyl radical ketenyl  
942 CS2H+ Carbon disulfide, protonated cs2h+  
943 HCNO fulminic acid hcno  
944 HNCO Isocyanic acid hnco  
945 HOCN cyanic acid hocn  
946 HNCS Isothiocyanic acid hncs  
947 HSCN thiocyanic acid hscn  
948 HCO2- formate anion hco2-  
949 HNNO nitrosoazane hnno  
950 HNNO+ Nitrous oxide, N-protonated hnno+  
951 NNOH+ Nitrous Oxide, O-protonated nnoh+  
952 HCOO formate neutral radical hcoo  
953 HOCO Hydrocarboxyl radical hoco  
954 HOCO+ Hydrocarboxyl cation hoco+  
955 HNO2 Nitrous acid hno2  
956 HNO2+ nitrous acid cation hno2+  
957 O3H+ protonated ozone o3h+  
958 SO2H+ protonated sulfur dioxide so2h+  
959 C2H2O Oxirene oxirene  
960 CH2CO Ketene ch2co  
961 CH2CO+ Ketene cation ch2co+  
962 HCCOH ethynol hccoh  
963 CH2CS Thioketene ch2cs  
964 Be(OH)2 Beryllium hydroxide beo2h2  
965 Mg(OH)2 Magnesium dihydroxide h2mgo2  
966 NH2NO Nitrosamide nh2no  
967 CH2O2 Dioxirane diox  
968 H2COO Dioxymethyl radical h2coo  
969 H2COO+ dioxymethyl cation h2coo+  
970 HCOOH Formic acid ch2o2  
971 H2O3 Hydrogen trioxide h2o3  
972 HSSSH trisulfane hsssh  
973 NaOCH3 Sodium methoxide naoch3  
974 CH2BOH hydroxy(methylene)borane ch2boh  
975 BH3CO Borane carbonyl bh3co  
976 CH3BO Borane, methyloxo- ch3bo  
977 CH2CHO Vinyloxy radical ch2cho  
978 CH2COH+ ketene, protonated ch2coh+  
979 CH3CO Acetyl radical ch3co  
980 CH3CO- Acetyl anion ch3co-  
981 CH3CO+ acetyl cation ch3co+  
982 CH2NOH formaldoxime ch2noh  
983 CH3NO nitrosomethane ch3no  
984 CHONH2 formamide formamide  
985 CNOH3 1,2-oxaziridine cnoh3  
986 HOCHNH hydroxymethylimine hochnh  
987 CHSNH2 thioformamide chsnh2  
988 NHCHSH Methanimidothioic acid nhchsh  
989 CH2OOH CH2OOH radical ch2ooh  
990 CH3OO methylperoxy radical ch3oo  
991 CH3OO- methylperoxy anion ch3oo-  
992 CH3OO+ methylperoxy cation ch3oo+  
993 C2H4O Ethylene oxide c2h4o  
994 C2H4O+ ethylene oxide cation c2h4o+  
995 CH2CHOH ethenol ch2choh  
996 CH3CHO Acetaldehyde ch3cho  
997 CH3CHO+ acetaldehyde cation ch3cho+  
998 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
999 C2H4S Thiirane thiirane  
1000 CH2CHSH Ethenethiol ch2chsh  
1001 CH3CHS Thioacetaldehyde ch3chs  
1002 H2CONH2+ protonated formamide h2conh2+  
1003 NH2CHOH+ Formamide, O-protonated nh2choh+  
1004 NH3CHO+ Formamide, N-Protonated nh3cho+  
1005 CH2(OH)2 methanediol ch2o2h2  
1006 CH3OOH Methyl peroxide ch3ooh  
1007 CH3SSH Hydrogen methyl disulfide ch3ssh  
1008 HSCH2SH Methanedithiol ch4s2  
1009 H2OH2CO water formaldehyde dimer h2oh2co  
1010 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1011 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1012 CH3CH2O Ethoxy radical ethoxy  
1013 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1014 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1015 CH3OCH2 methoxymethyl radical ch3och2  
1016 NH2CH2OH aminomethanol nh2ch2oh  
1017 CH3CH2OH Ethanol etoh  
1018 CH3OCH3 Dimethyl ether meome  
1019 CH3CH2SH ethanethiol etsh  
1020 CH3SCH3 Dimethyl sulfide mesme  
1021 CH3SCH3+ dimethyl sulfide cation mesme+  
1022 CH3SeCH3 dimethylselenide dmse  
1023 CH3OHH2O methanol water dimer ch3ohh2o  
1024 H2OCH3OH water methanol dimer h2och3oh  
1025 CuF2 Copper difluoride cuf2  
1026 ZnF2 Zinc difluoride znf2  
1027 CNF iso cyanogen fluoride cnf  
1028 FCN Cyanogen fluoride fcn  
1029 ClCN chlorocyanogen clcn  
1030 BrCN Cyanogen bromide brcn  
1031 ICN Cyanogen iodide icn  
1032 FBO Boron monofluoride monoxide fbo  
1033 BeF2 Beryllium fluoride bef2  
1034 MgF2 Magnesium fluoride mgf2  
1035 BeCl2 Beryllium chloride becl2  
1036 MgCl2 Magnesium dichloride mgcl2  
1037 CaCl2 Calcium Chloride cacl2  
1038 ZnCl2 Zinc dichloride zncl2  
1039 BeBr2 Beryllium bromide bebr2  
1040 CaBr2 Calcium dibromide cabr2  
1041 CaF2 Calcium difluoride caf2  
1042 FCO Carbonyl fluoride fco  
1043 FCO+ Carbonyl fluoride cation fco+  
1044 ClCO carbonyl monochloride clco  
1045 BF2 Boron difluoride radical bf2  
1046 FNO Nitrosyl fluoride fno  
1047 ClNO Nitrosyl chloride clno  
1048 FNS Thionitrosyl fluoride fns  
1049 FSN Thiazyl fluoride fsn  
1050 OPCl Phosphorus oxychloride opcl  
1051 BrNO Nitrosyl bromide brno  
1052 INO Nitrosyl iodide ino  
1053 CF2 Difluoromethylene cf2  
1054 CF2- Difluoromethylene anion cf2-  
1055 CF2+ Difluoromethylene cation cf2+  
1056 CFCl chlorofluoromethylene cfcl  
1057 SiF2 Silicon difluoride sif2  
1058 SiF2+ Silicon difluoride cation sif2+  
1059 CCl2 dichloromethylene ccl2  
1060 CCl2- dichloromethylene anion ccl2-  
1061 CCl2+ dichloromethylene cation ccl2+  
1062 SiCl2 Dichlorosilylene sicl2  
1063 GeF2 Germanium difluoride gef2  
1064 GeCl2 Germanium dichloride gecl2  
1065 CBr2 dibromomethylene cbr2  
1066 FOO Dioxygen monofluoride radical foo  
1067 FOO+ Fluorine dioxide cation foo+  
1068 ClOO chloroperoxy radical cloo  
1069 ClOO+ chloroperoxy cation cloo+  
1070 OClO Chlorine dioxide oclo  
1071 OClO- Chlorine dioxide anion oclo-  
1072 OClO+ Chlorine dioxide cation oclo+  
1073 ClSO Sulfur chloride oxide clso  
1074 ClS2 Sulfur chloride cls2  
1075 BrOO Bromine dioxide broo  
1076 OBrO Bromine dioxide radical obro  
1077 NF2 Difluoroamino radical nf2  
1078 NF2+ Difluoroamino cation nf2+  
1079 PF2 Phosphorus difluoride pf2  
1080 PF2+ Phosphorus difluoride cation pf2+  
1081 FClO chlorosyl fluoride fclo  
1082 F2O Difluorine monoxide f2o  
1083 ClOF Chlorine hypofluorite clof  
1084 SF2 sulfur difluoride sf2  
1085 SF2- sulfur difluoride anion sf2-  
1086 SF2+ sulfur difluoride cation sf2+  
1087 Cl2O Dichlorine monoxide cl2o  
1088 SCl2 Sulfur dichloride scl2  
1089 SeF2 Selenium difluoride sef2  
1090 BrOCl Bromine hypochlorite brocl  
1091 SeCl2 Selenium Dichloride secl2  
1092 SBr2 Sulfur dibromide sbr2  
1093 SeBr2 Selenium dibromide sebr2  
1094 BrOBr Bromine oxide brobr  
1095 F3- trifluoride anion f3-  
1096 Cl3- trichloride anion cl3-  
1097 Br3- tribromide anion br3-  
1098 I3- triiodide i3-  
1099 SFCl Sulfur chloride fluoride sfcl  
1100 HCCF Fluoroacetylene hccf  
1101 HCCF+ fluoroacetylene cation hccf+  
1102 HCCCl Chloroacetylene hcccl  
1103 HCCBr bromoacetylene hccbr  
1104 HFCO formyl fluoride hfco  
1105 HFCO+ formyl fluoride cation hfco+  
1106 COHCl Formyl chloride cohcl  
1107 COHBr Formyl bromide cohbr  
1108 BHF2 Difluoroborane bhf2  
1109 BHCl2 Borane, dichloro- bhcl2  
1110 CHCl2 dichloromethyl radical chcl2  
1111 CHF2 difluoromethyl radical chf2  
1112 CHF2+ difluoromethyl cation chf2+  
1113 CHFCl Chlorofluoromethyl radical chfcl  
1114 CHFCl+ Chlorofluoromethyl cation chfcl+  
1115 CHCl2+ dichloromethyl cation chcl2+  
1116 CHBr2 dibromomethyl radical chbr2  
1117 HOClO Chlorous acid hoclo  
1118 NHF2 difluoramine nhf2  
1119 NHCl2 dichloroamine nhcl2  
1120 CH2F2 Methane, difluoro- ch2f2  
1121 CH2FCl fluorochloromethane ch2fcl  
1122 SiH2F2 difluorosilane sih2f2  
1123 CH2Cl2 Methylene chloride ch2cl2  
1124 CH2BrF Methane, bromofluoro- ch2fbr  
1125 CH2BrCl Methane, bromochloro- ch2clbr  
1126 CH2FI fluoroiodomethane ch2fi  
1127 CH2Br2 dibromomethane ch2br2  
1128 CH2ClI chloroiodomethane ch2cli  
1129 CH2BrI bromoiodomethane ch2bri  
1130 CH2I2 Diiodomethane ch2i2  
1131 SiH2Cl2 dichlorosilane sih2cl2  
1132 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1133 CH2CHF Ethene, fluoro- ch2chf  
1134 CH2CHF+ fluoroethene cation ch2chf+  
1135 C2H3Cl Ethene, chloro- ch2chcl  
1136 C2H3Br vinyl bromide c2h3br  
1137 C2H3I Vinyl iodide c2h3i  
1138 CH2FOH fluoromethanol ch2foh  
1139 CH3OCl methyl hypochlorite ch3ocl  
1140 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1141 CHClCH3 1-chloroethyl radical chclch3  
1142 C2H5F fluoroethane c2h5f  
1143 CH3CH2Cl Ethyl chloride c2h5cl  
1144 CH3SiFH2 fluoromethylsilane ch3sifh2  
1145 C2H5Br Ethyl bromide etbr  
1146 C2H5I Ethyl iodide c2h5i  
1147 KrF2 Krypton difluoride krf2  
1148 XeF2 Xenon difluoride xef2  
1149 B4H10 Tetraborane(10) b4h10  
1150 C4 Carbon tetramer c4  
1151 C4+ Carbon tetramer cation c4+  
1152 C4H2 Diacetylene c4h2  
1153 C4H2+ diacetlyene cation c4h2+  
1154 C2H3CCH 1-Buten-3-yne c2h3cch  
1155 C4H4 cyclobutadiene cbd  
1156 C4H4 Tetrahedrane c4h4  
1157 H2CCCCH2 Butatriene h2cccch2  
1158 C4H6 1-Methylcyclopropene c3100047  
1159 C4H6 Cyclobutene c822355  
1160 C4H6 Methylenecyclopropane c6142730  
1161 CH2CCHCH3 1,2-Butadiene butad12  
1162 CH2CHCHCH2 1,3-Butadiene c106990  
1163 CH3CCCH3 2-Butyne c503173  
1164 CHCCH2CH3 1-Butyne c107006  
1165 CH3CHCHCH2 methylallyl radical c4h7  
1166 C4H8 methylcyclopropane mcp  
1167 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1168 CH2CHCH2CH3 1-Butene bute1  
1169 CH3CHCHCH3 2-Butene, (E)- bute2e  
1170 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1171 B(CH3)3 trimethylborane bme3  
1172 Al(CH3)3 trimethyl aluminum tma  
1173 C(CH3)3 Tert-butyl radical tbutyl  
1174 CH2CH(CH3)2 Isobutyl radical isobutyl  
1175 CH3CHCH2CH3 2-Butyl radical butyl2  
1176 CH3CH(CH3)CH3 Isobutane isobutane  
1177 CH3CH2CH2CH3 Butane butane  
1178 SiH(CH3)3 trimethylsilane trimsi  
1179 Li3N trilithium nitride li3n  
1180 C2N2 Cyanogen c2n2  
1181 C2N2+ Cyanogen cation c2n2+  
1182 P4 Phosphorus tetramer p4  
1183 As4 Arsenic tetramer as4  
1184 HCCCN Cyanoacetylene hcccn  
1185 HCCCN+ Cyanoacetylene cation hcccn+  
1186 H2CNCN cyanamide, methylene ch2ncn  
1187 HNCCNH Ethenediimine hnccnh  
1188 C3H3N acrylonitrile ch2chcn  
1189 C3H3N+ acrylonitrile cation ch2chcn+  
1190 CH3N3 methyl azide ch3n3  
1191 NH2CCNH2 Diaminoacetylene daa  
1192 NH2CH2CN Aminoacetonitrile aan  
1193 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1194 C2H5CN ethyl cyanide c2h5cn  
1195 CH5N3 Guanidine guanidine  
1196 C4H6 Bicyclo[1.1.0]butane c157335  
1197 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1198 H2NCHCHNH2 diaminoethylene dae  
1199 CH6N3+ guanidinium ch6n3+  
1200 C3H7N Cyclopropylamine cpram  
1201 CH7N3 triaminomethane tam  
1202 C3H7N Azetidine azet  
1203 C4H8 cyclobutane cbutane  
1204 C2H8N2 Ethylenediamine ethdiam  
1205 CH3NHNHCH3 dimethyl hydrazine dmh  
1206 CH3CH(NH2)CH3 2-Propanamine pram2  
1207 N(CH3)3 Trimethylamine trimeam  
1208 NH2CH2CH2CH3 1-Propanamine pram1  
1209 P(CH3)3 trimethylphosphine tmp  
1210 N(SiH3)3 trisilylamine tsa  
1211 As(CH3)3 trimethyl arsine tmas  
1212 (CH3)3NH+ protonated trimethyl amine ptma  
1213 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1214 Li2O2 dilithium dioxide li2o2  
1215 Na2O2 disodium dioxide na2o2  
1216 K2O2 dipotassium dioxide k2o2  
1217 C3O Tricarbon monoxide c3o  
1218 B2O2 Diboron dioxide b2o2  
1219 ONNO NO dimer onno  
1220 S2N2 Disulfur dinitride s2n2  
1221 CO3 Carbon trioxide co3  
1222 CO3-- carbonate co3--  
1223 CS3-- Carbonotrithioate cs3--  
1224 NO3 Nitrogen trioxide no3  
1225 NO3- nitrate anion no3-  
1226 NO3+ nitrogen trioxide cation no3+  
1227 SO3 Sulfur trioxide so3  
1228 SO3- Sulfur trioxide anion so3-  
1229 SO3-- Sulfate dianion so3--  
1230 SO3+ Sulfur trioxide cation so3+  
1231 SeO3 selenium trioxide seo3  
1232 S4 Sulfur tetramer s4  
1233 TeO3 Tellurium trioxide teo3  
1234 HCO3- bicarbonate anion hco3-  
1235 HNO3 Nitric acid hno3  
1236 HSO3 Hydroxysulfonyl radical hso3  
1237 NH2NO2 nitramide nh2no2  
1238 C2H2CO cyclopropenone c2h2co  
1239 C3H2O Propadienal c3h2o  
1240 HCCCHO 2-propynal hcccho  
1241 C2H2O2 Ethanedial c2h2o2  
1242 C2H2O2+ Ethanedial cation c2h2o2+  
1243 H2CO3 Carbonic acid h2co3  
1244 H2CS3 thiocarbonic acid h2cs3  
1245 H2NO3+ Nitric Acid, Protonated h2no3+  
1246 H2SO3 Sulfurous acid h2so3  
1247 C2H3NO Nitrosoethylene c2h3no  
1248 CH3NCO methylisocyante ch3nco  
1249 HOCH2CN cyanomethanol hoch2cn  
1250 CH3COO- acetate anion ch3coo-  
1251 CH3NO2 Methane, nitro- ch3no2  
1252 CH3ONO Methyl nitrite ch3ono  
1253 NH2COOH Carbamic acid nh2cooh  
1254 H3BO3 Boric acid h3bo3  
1255 H3AlO3 Aluminum hydroxide h3alo3  
1256 H3CO3+ carbonic acid, protonated h3co3+  
1257 C3H4O 2-Propyn-1-ol c107197  
1258 C3H4O allenol c9000071  
1259 C3H4O Cyclopropanone cpone  
1260 C3H4O Methylketene c6004440  
1261 CH2CHCHO Acrolein c3h4o  
1262 NH2CONH2 Urea urea  
1263 NH2CONH2+ Urea cation urea+  
1264 NH2CSNH2 Thiourea thiourea  
1265 C2H4O2 1,3-dioxetane c2h4o2  
1266 CH3COOH Acetic acid ch3cooh  
1267 CH3OCHO methyl formate ch3ocho  
1268 CHOCH2OH hydroxy acetaldehyde haa  
1269 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1270 NH3COOH+ protonated Carbamic acid nh3cooh+  
1271 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1272 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1273 HCOOHH2O Formic acid water dimer hcoohh2o  
1274 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1275 CH3COCH2 Acetonyl radical ch3coch2  
1276 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1277 CH3C(OH)=NH Ethaninidic acid eia  
1278 CH3CHNOH Acetaldoxime acetaldoxime  
1279 CH3CONH2 Acetamide acetamide  
1280 HCONHCH3 N-methylformamide nmfa  
1281 CH3CSNH2 Ethanethioamide ch3csnh2  
1282 CH5N2O+ urea, N-protonated ch4n2o+  
1283 H2NCOHNH2+ urea, protonated ureah+  
1284 C2H5OO ethylperoxy radical c2h5oo  
1285 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1286 C3H5OH Cyclopropanol cproh  
1287 C3H6O 2-Propen-1-ol c107186  
1288 C3H6O Acetone enol enol  
1289 C3H6O Oxetane oxetane  
1290 C3H6O Propylene oxide prox  
1291 CH3CH2CHO Propanal propanal  
1292 CH3COCH3 Acetone acetone  
1293 CH3COCH3- acetone anion ch3coch3-  
1294 C3H6S Thietane thietane  
1295 C3H6S Thiirane, methyl- methiirane  
1296 CH3CSCH3 Thioacetone ch3csch3  
1297 C2H6O2 1,2-Ethanediol ethdiol  
1298 CH3OOCH3 dimethylperoxide dmp  
1299 CH3SOCH3 Dimethyl sulfoxide dmso  
1300 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1301 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1302 CH3COHCH3+ acetone, protonated acetoneh+  
1303 HOCH2CH2NH2 monoethanolamine mea  
1304 C3H7OH 1-Propanol proh  
1305 CH3CHOHCH3 Isopropyl alcohol isoproh  
1306 CH3OC2H5 Ethane, methoxy- etome  
1307 C3H7SH 1-Propanethiol prsh  
1308 CH3CHSHCH3 2-Propanethiol isoprsh  
1309 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1310 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1311 Li2F2 Lithium fluoride dimer li2f2  
1312 Na2F2 Sodium Fluoride Dimer na2f2  
1313 Na2Cl2 Disodium dichloride na2cl2  
1314 C2F2 difluoroacetylene c2f2  
1315 C2Cl2 dichloroacetylene c2cl2  
1316 C2Cl2+ dichloroacetylene cation c2cl2+  
1317 FNO2 Nitryl fluoride fno2  
1318 FONO Nitrosyl hypofluorite fono  
1319 ClNO2 Nitryl chloride clno2  
1320 ClONO chlorine nitrite clono  
1321 BrONO Bromine nitrite brono  
1322 N2F2 (Z)-Difluorodiazene n2f2_z  
1323 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1324 CF2O Carbonic difluoride f2co  
1325 CF2O+ Carbonic difluoride cation f2co+  
1326 COFCl Carbonic chloride fluoride cofcl  
1327 CCl2O Phosgene cl2co  
1328 Cl2CS Thiophosgene cl2cs  
1329 COBr2 Carbonic dibromide cobr2  
1330 BF3- Borane, trifluoro- anion bf3-  
1331 BF3+ boron trifluoride cation bf3+  
1332 BClF2 Chlorodifluoroborane bclf2  
1333 AlF2Cl Aluminum chloride difluoride alclf2  
1334 ScF3 Scandium trifluoride ScF3  
1335 AlFCl2 Aluminum dichloride fluoride alcl2f  
1336 BCl3 Borane, trichloro- bcl3  
1337 BCl3+ Boron Trichloride cation bcl3+  
1338 GaF3 Gallium trifluoride gaf3  
1339 AlCl3 Aluminum trichloride alcl3  
1340 GaCl3 Gallium trichloride gacl3  
1341 BBr3 Boron tribromide bbr3  
1342 AlBr3 Aluminum Bromide albr3  
1343 ClO3 Chlorine trioxide clo3  
1344 ClO3- chlorate anion clo3-  
1345 BrO3- Bromate anion bro3-  
1346 CF3 Trifluoromethyl radical cf3  
1347 CF3- Trifluoromethyl anion cf3-  
1348 CF3+ Trifluoromethyl cation cf3+  
1349 CF2Cl difluorochloromethyl radical cf2cl  
1350 SiF3 Silicon trifluoride radical sif3  
1351 SiF3+ Silicon trifluoride cation sif3+  
1352 CFCl2 dichlorofluoromethyl radical cfcl2  
1353 CCl3 Trichloromethyl radical ccl3  
1354 CCl3- Trichloromethyl anion ccl3-  
1355 CCl3+ Trichloromethyl cation ccl3+  
1356 SiCl3 trichlorosilyl radical sicl3  
1357 SiCl3+ trichlorosilyl cation sicl3+  
1358 CBr3 tribromomethyl radical cbr3  
1359 FOOF Perfluoroperoxide foof  
1360 ClO2F Chloryl fluoride clo2f  
1361 F2SO Thionyl Fluoride f2so  
1362 ClOOCl Dichlorine dioxide cloocl  
1363 FSSF Difluorodisulfane fssf  
1364 S2F2 Thio-thionyl fluoride s2f2  
1365 SOCl2 thionyl chloride socl2  
1366 SSCl2 Thiothionyl chloride sscl2  
1367 SeOCl2 selenium oxychloride seocl2  
1368 NF3 Nitrogen trifluoride nf3  
1369 NF3- Nitrogen trifluoride anion nf3-  
1370 NF3+ Nitrogen trifluoride cation nf3+  
1371 PF3 Phosphorus trifluoride pf3  
1372 NCl3 nitrogen trichloride ncl3  
1373 AsF3 Arsenic trifluoride asf3  
1374 PCl3 Phosphorus trichloride pcl3  
1375 SbF3 Antimony Trifluoride sbf3  
1376 AsCl3 Arsenous trichloride ascl3  
1377 SbCl3 Antimony Trichloride sbcl3  
1378 NBr3 Nitrogen Tribromide nbr3  
1379 PBr3 Phosphorus tribromide pbr3  
1380 AsBr3 Arsenic tribromide asbr3  
1381 PI3 Phosphorus triiodide pi3  
1382 ClSSCl Disulfur dichloride s2cl2  
1383 SF3 Sulfur trifluoride sf3  
1384 ClF3 Chlorine trifluoride clf3  
1385 BrF3 Bromine trifluoride brf3  
1386 IF3 iodone trifluoride if3  
1387 HClO3 Chloric Acid hclo3  
1388 CHF3 Methane, trifluoro- chf3  
1389 CHF2Cl difluorochloromethane chf2cl  
1390 SiHF3 trifluorosilane sihf3  
1391 CHFCl2 fluorodichloromethane chfcl2  
1392 CDCl3 trichloromethane-d cdcl3  
1393 CHCl3 Chloroform chcl3  
1394 CHBrF2 Methane, bromodifluoro- chbrf2  
1395 SiHCl3 Trichlorosilane sihcl3  
1396 CHFClBr fluorochlorobromomethane chfclbr  
1397 CHBrCl2 Methane, bromodichloro- chbrcl2  
1398 CHF2I difluoroiodomethane chf2i  
1399 CHBr2F dibromofluoromethane chbr2f  
1400 CHFClI fluorochloroiodomethane chfcli  
1401 CHCl2I dichloroiodomethane chcl2i  
1402 CHClBr2 Methane, dibromochloro- chclbr2  
1403 CHBr3 bromoform chbr3  
1404 CHI3 Iodoform chi3  
1405 NF3H+ protonated nitrogen trifluoride nf3h+  
1406 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1407 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1408 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1409 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1410 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1411 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1412 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1413 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1414 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1415 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1416 C2H2Br2 1,1-dibromoethene c2h2br2  
1417 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1418 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1419 CH2FCHO Fluoroacetaldehyde ch2fcho  
1420 CH3COF Acetyl fluoride ch3cof  
1421 CH2ClCHO chloroacetaldehyde ch2clcho  
1422 CH3COCl Acetyl Chloride ch3cocl  
1423 C2H4F2 1,2-difluoroethane c2h4f2  
1424 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1425 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1426 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1427 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1428 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1429 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1430 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1431 CH2CFCH3 2-fluoropropene 2fpro  
1432 CH2CHCH2F Allyl Fluoride allylf  
1433 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1434 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1435 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1436 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1437 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1438 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1439 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1440 CH2FCH2CH3 1-Fluoropropane prf1  
1441 CH3CHFCH3 2-Fluoropropane prf2  
1442 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1443 CH3CHClCH3 Propane, 2-chloro- prcl2  
1444 CH3CH2CH2Br n-propyl bromide prbr  
1445 CH3CHBrCH3 i-propyl bromide iprbr  
1446 C3H9O+ trimethyl oxonium cation c3h9o+  
1447 B5H9 pentaborane9 b5h9  
1448 C5H4 pentatetraene ptrene  
1449 C5H5 cyclopentadienyl radical c5h5  
1450 C5H5- cylopentadienyl anion c5h5-  
1451 C5H6 1,3-Cyclopentadiene c542927  
1452 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1453 C5H6 3-Penten-1-yne, (E)- c2004695  
1454 C5H6 3-Penten-1-yne, (Z)- c1574409  
1455 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1456 C5H6 Cyclopropylacetylene c6746947  
1457 C5H6 Propellane propellane  
1458 C5H7 1,3-pentadienyl radical pdyl  
1459 C5H7 cyclopentenyl radical cpyl  
1460 C5H8 1,2-Butadiene, 3-methyl- c598254  
1461 C5H8 1,2-Pentadiene c591957  
1462 C5H8 1,3-Butadiene, 2-methyl- c78795  
1463 C5H8 1,3-Pentadiene, (E)- c2004708  
1464 C5H8 1,3-Pentadiene, (Z)- c1574410  
1465 C5H8 1,4-Pentadiene c591935  
1466 C5H8 1-pentyne a1pentyne  
1467 C5H8 2,3-Pentadiene c591968  
1468 C5H8 Bicyclo[1.1.1]pentane bcp  
1469 C5H8 Cyclobutane, methylene- c1120565  
1470 C5H8 Cyclopentene c142290  
1471 C5H8 Ethenylcyclopropane c693867  
1472 CH3CCCH2CH3 2-Pentyne 2pentyne  
1473 C5H10 1-Butene, 2-methyl- c563462  
1474 C5H10 2-Butene, 2-methyl- c513359  
1475 C5H10 2-Pentene, (E)- c646048  
1476 C5H10 2-Pentene, (Z)- c627203  
1477 C5H10 Cyclopentane c287923  
1478 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1479 CH2CHCH2CH2CH3 1-pentene pentene  
1480 C5H11 2-Methylbut-2-yl radical c4348350  
1481 C5H12 Butane, 2-methyl- buta2  
1482 C5H12 Pentane pentane  
1483 C5H12 Propane, 2,2-dimethyl- neopentane  
1484 Si(CH3)4 tetramethylsilane tms  
1485 N2O3 Dinitrogen trioxide n2o3  
1486 C3H2N2 Malononitrile c3h2n2  
1487 CH2N4 1H-Tetrazole 1htz  
1488 C3H3N2 imidazolyl radical im  
1489 C3H3N2- imidizolyl anion im-  
1490 C2H3N3 1H-1,2,4-Triazole c288880  
1491 C4H4N pyrrolide radical c4h4n  
1492 C4H4N- pyrrolide anion c4h4n-  
1493 C3H4N2 1H-Imidazole 1himidaz  
1494 C3H4N2 1H-Pyrazole 1hpyraz  
1495 C3H4N2 2H-Imidazole imid2h  
1496 C3H4N2 4H-Imidazole imid4h  
1497 C4H5N (E)-2-Butenenitrile c627269  
1498 C4H5N (Z)-2-Butenenitrile c1190767  
1499 C4H5N 2H-pyrrole pyrrole2  
1500 C4H5N 3H-pyrrole pyrrole3  
1501 C4H5N Cyclopropanecarbonitrile c5500210  
1502 C4H5N Pyrrole pyrrole  
1503 CH2CHCH2CN Allylcyanide ch2chch2cn  
1504 C4H6N+ pyrrole, alpha-protonated appyr  
1505 C4H6N+ pyrrole, beta-protonated bppyr  
1506 C4H6N+ pyrrole, protonated ppyr  
1507 C3H6N2 3-Aminopropionitrile c151188  
1508 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1509 CH3CH2CH2CN Butanenitrile c109740  
1510 C5H8 Bicyclo[2.1.0]pentane c185944  
1511 C5H8 Spiropentane c157404  
1512 C4H9N Cyclobutylamine cbam  
1513 C4H9N Pyrrolidine pyrrolidine  
1514 C3H10N2 1,2-Diaminopropane diampr12  
1515 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1516 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1517 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1518 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1519 NH(C2H5)2 diethylamine dea  
1520 NC4H12+ tetramethyl ammonium cation nc4h12+  
1521 C3O2 Carbon suboxide c3o2  
1522 C3O2+ Carbon suboxide cation c3o2+  
1523 B2O3 diboron trioxide b2o3  
1524 MgCO3 Magnesium Carbonate mgco3  
1525 BeCO3 Beryllium Carbonate beco3  
1526 CaCO3 Calcium Carbonate caco3  
1527 ONONO Nitrosyl nitrite onono  
1528 PO4--- phosphate po4---  
1529 SO4-- sulfate so4--  
1530 HOONO2 peroxy nitric acid hoono2  
1531 HSO4- bisulfate anion hso4-  
1532 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1533 C3H2O2 Propiolic acid c3h2o2  
1534 CHOCOOH oxo acetic acid oaa  
1535 CHOOCHO diformyl ether choocho  
1536 H2SO4 Sulfuric acid h2so4  
1537 H2SeO4 Selenic acid h2seo4  
1538 C3H3NO Isoxazole isox  
1539 C3H3NO Oxazole oxazole  
1540 C3H3NS Thiazole thiazole  
1541 CH3C(O)OO acetyl peroxy radical ch3coo2  
1542 CH3NO3 Methyl nitrate ch3no3  
1543 H3PO4 Phosphoric Acid h3po4  
1544 C4H4O Furan furan  
1545 C4H4O+ Furan cation furan+  
1546 CH3COCCH 3-butyn-2-one c1423605  
1547 C4H4S Thiophene furans  
1548 C4H4Se selenophene c4h4se  
1549 C3H4O2 β–Propiolactone beta  
1550 C3H4O2 2-Propenoic acid propenoic2  
1551 C3H4O2 Methyl glyoxal megly  
1552 C3H4O2 propanedial propanedial  
1553 C3H4O2 propenalol propenalol  
1554 HOCHCCHOH allenediol aldiol  
1555 C2H4O3 1,2,3-trioxolane c2h4o3  
1556 C2H4O3 trioxolane124 triox  
1557 HOCH2COOH Hydroxyacetic acid hac  
1558 CH2CHCONH2 Acrylamide c79061  
1559 CH3OCH2CN Methoxyacetonitrile c1738369  
1560 CH5N3S Hydrazinecarbothioamide c79196  
1561 H2NCH2COOH Glycine glycine  
1562 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1563 C4H6O cis-2-butenal butenal2c  
1564 C4H6O Cyclobutanone cbutone  
1565 C4H6O Furan, 2,3-dihydro- furan23h  
1566 C4H6O Furan, 2,5-dihydro- furan25h  
1567 CH2CHOCHCH2 Vinyl ether vinylether  
1568 CHOCHCHCH3 2-Butenal butenal2  
1569 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1570 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1571 CH2CHSCHCH2 Divinyl sulfide divis  
1572 C2H6N2O Urea, methyl- c598505  
1573 C3H6O2 1,3-Dioxolane dioxolane  
1574 CH3CH2COOH Propanoic Acid propanoic  
1575 CH3COOCH3 methyl acetate aame  
1576 HCOOC2H5 Ethyl formate faee  
1577 C2H6O2S Dimethyl sulfone c67710  
1578 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1579 C3H7NO dimethylformamide dmf  
1580 C3H7NO Propanamide propanam  
1581 C2H3OC2H5 Ethene, ethoxy- c109922  
1582 C4H8O Cyclobutanol c2919235  
1583 C4H8O Furan, tetrahydro- thf  
1584 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1585 CH3COCH2CH3 2-Butanone buta2one  
1586 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1587 CHOCH2CH2CH3 Butanal butanal  
1588 C4H8S Thiophene, tetrahydro- tht  
1589 C3H8O2 1,3-Propanediol c504632  
1590 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1591 C3H8O2 Methane, dimethoxy- c109875  
1592 C3H8O2 Propylene glycol c57556  
1593 C3H8S2 1,3-Propanedithiol c109808  
1594 C4H10O 1-Butanol butanol1  
1595 C4H10O 1-Propanol, 2-methyl- c78831  
1596 C4H10O 2-Butanol, (.+/-.)- butanol2  
1597 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1598 C4H10O Ethoxy ethane etoet  
1599 C4H10O Methyl propyl ether meopr  
1600 C4H10O Propane, 2-methoxy- c598538  
1601 C4H10O+ 1-Butanol cation butanol1+  
1602 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1603 C2H5SC2H5 Diethyl sulfide etset  
1604 C4H9SH 1-Butanethiol bush  
1605 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1606 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1607 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1608 FNO3 Fluorine nitrate fno3  
1609 ClONO2 Chlorine nitrate clono2  
1610 BrONO2 Bromine nitrate brono2  
1611 TiCl4 Titanium tetrachloride ticl4  
1612 ClO4- perchlorate anion clo4-  
1613 BF4- tetrafluoroboron anion bf4-  
1614 ClFO3 Perchloryl fluoride clfo3  
1615 SO2F2 Sulfuryl fluoride so2f2  
1616 SO2Cl2 Sulfuryl chloride so2cl2  
1617 F3NO Nitrogen trifluoride oxide f3no  
1618 F3PO Phosphoryl fluoride pf3o  
1619 Cl3PO Phosphoryl chloride pcl3o  
1620 CF4 Carbon tetrafluoride cf4  
1621 CF3Cl Methane, chlorotrifluoro- cf3cl  
1622 SiF4 Silicon tetrafluoride sif4  
1623 CF2Cl2 difluorodichloromethane cf2cl2  
1624 TiF4 Titanium tetrafluoride tif4  
1625 CFCl3 Trichloromonofluoromethane cfcl3  
1626 CF3Br Bromotrifluoromethane cf3br  
1627 GeF4 Germanium tetrafluoride gef4  
1628 CCl4 Carbon tetrachloride ccl4  
1629 CCl4+ Carbon tetrachloride cation ccl4+  
1630 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1631 SiCl4 Silane, tetrachloro- sicl4  
1632 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1633 CF3I trifluoroiodomethane cf3i  
1634 CBrCl3 Methane, bromotrichloro- cbrcl3  
1635 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1636 GeCl4 Germanium Tetrachloride gecl4  
1637 CBr2ClF dibromochlorofluoromethane cbr2clf  
1638 CBr2Cl2 dibromodichloromethane cbr2cl2  
1639 CCl3I trichloroiodomethane ccl3i  
1640 CFBr3 fluorotribromomethane cfbr3  
1641 CFClBrI fluorochlorobromoiodomethane cfclbri  
1642 CBr3Cl tribromochloromethane cbr3cl  
1643 CF2I2 difluorodiiodomethane cf2i2  
1644 CBr4 Carbon tetrabromide cbr4  
1645 CCl2I2 dichlorodiiodomethane ccl2i2  
1646 SiBr4 Silicon tetrabromide sibr4  
1647 CBr3I tribromoiododmethane cbr3i  
1648 GeBr4 Germanium tetrabromide gebr4  
1649 CI4 tetraiodomethane ci4  
1650 SiI4 silicon tetraiodide sii4  
1651 ClOF3 Chlorine trifluoride oxide clof3  
1652 SF4 Sulfur tetrafluoride sf4  
1653 SeF4 Selenium tetrafluoride sef4  
1654 SCl4 Sulfur tetrachloride scl4  
1655 C2HF3 Trifluoroethylene c2hf3  
1656 C2HF3+ Trifluoroethylene cation c2hf3+  
1657 CHClCCl2 Trichloroethylene chclccl2  
1658 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1659 HClO4 perchloric acid hclo4  
1660 HSO3F Fluorosulfonic acid hso3f  
1661 CF3OH trifluoromethanol cf3oh  
1662 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1663 CHClCCHCl 1,3-dichloroallene chclcchcl  
1664 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1665 CHCl2CHO dichloroacetaldehyde chcl2cho  
1666 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1667 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1668 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1669 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1670 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1671 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1672 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1673 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1674 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1675 NH3BCl3 Amminetrichloroboron nh3bcl3  
1676 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1677 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1678 C3H5ClO Oxirane, (chloromethyl)- c106898  
1679 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1680 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1681 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1682 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1683 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1684 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1685 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1686 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1687 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1688 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1689 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1690 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1691 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1692 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1693 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1694 C4H9F 1-fluorobutane butaf1  
1695 CH3CHFCH2CH3 2-fluorobutane butaf2  
1696 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1697 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1698 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1699 XeF4 Xenon tetrafluoride xef4  
1700 C2H2N2O Furazan furazan  
1701 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1702 NH3BF3 Amminetrifluoroboron nh3bf3  
1703 C6H2 hexatriyne c6h2  
1704 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1705 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1706 C6H4 Benzyne benzyne  
1707 C6H5 phenyl phenyl  
1708 C6H5- phenyl anion phenyl-  
1709 C6H6 Prismane prismane  
1710 C6H6 1,2,4,5-Hexatetraene ht1245  
1711 C6H6 2,4-Hexadiyne hexadiyne  
1712 C6H6 3,4-Dimethylenecyclobutene cb34m  
1713 C6H6 Benzene benzene  
1714 C6H6 Benzvalene bv  
1715 C6H6 Dewar Benzene dewar  
1716 C6H6 Hexa-1,5-diene-3-yne hdy153  
1717 C6H6 Trimethylenecycopropane tmcp  
1718 C6H6+ Benzene cation c6h6+  
1719 C6H7+ benzene, protonated c6h7+  
1720 C6H8 (E)-hexa-1,3,5-triene c821078  
1721 C6H8 (E)-hexa-2,3,4-triene c59660650  
1722 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1723 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1724 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1725 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1726 C6H8 3-Methylenecyclopentene c930267  
1727 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1728 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1729 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1730 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1731 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1732 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1733 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1734 C6H10 1,5-Hexadiene c592427  
1735 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1736 C6H10 1-Hexyne hexyne1  
1737 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1738 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1739 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1740 C6H10 2-Hexyne c764352  
1741 C6H10 3-Hexyne hexyne3  
1742 C6H10 cyclohexene cyclohexene  
1743 C6H10 Cyclopentene, 1-methyl- c693890  
1744 C6H10 Cyclopentene, 3-methyl- c1120623  
1745 C6H10 Cyclopentene, 4-methyl- c1759815  
1746 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1747 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1748 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1749 C6H12 (E)-2-Hexene e2hexene  
1750 C6H12 (E)-3-methylpent-2-ene c616126  
1751 C6H12 (E)-hex-3-ene e3hexene  
1752 C6H12 (Z)-3-methylpent-2-ene c922623  
1753 C6H12 (Z)-hex-2-ene z2hexene  
1754 C6H12 (Z)-hex-3-ene z3hexene  
1755 C6H12 2,3-dimethylbut-1-ene c563780  
1756 C6H12 2,3-dimethyl-but-2-ene tmeet  
1757 C6H12 3-methylenepentane c760214  
1758 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1759 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1760 C6H12 Cyclohexane cyclohexane  
1761 C6H12 Cyclopentane, methyl- c96377  
1762 C6H12 Ethylcyclobutane c4806615  
1763 C6H12 hex-1-ene hexene1  
1764 C6H14 Butane, 2,2-dimethyl- buta22  
1765 C6H14 Butane, 2,3-dimethyl- buta23  
1766 C6H14 Hexane hexane  
1767 C6H14 Pentane, 2-methyl- penta2  
1768 C6H14 Pentane, 3-methyl- penta3  
1769 C4N2 2-Butynedinitrile c4n2  
1770 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1771 C4H2N2 Fumaronitrile c4h2n2  
1772 C2H2N4 sym-tetrazine ttz  
1773 C3H3N3 1,3,5-Triazine triazine135  
1774 CH3N5 5-Aminotetrazole c4418615  
1775 C4H4N2 1,3-Diazine diazine13  
1776 C4H4N2 Pyrazine pyrazine  
1777 C4H4N2 Pyridazine pyridazine  
1778 C4H4N2 Succinonitrile c110612  
1779 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1780 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1781 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1782 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1783 C5H5N E-2,4-pentadienenitrile bdcn  
1784 C5H5N Pyridine pyridine  
1785 B3N3H6 borazine borazine  
1786 C6H6 Fulvene fulvene  
1787 C5H6N+ Pyridinium c5h6n  
1788 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1789 C5H7N (E)-2-Pentenenitrile c26294984  
1790 C5H7N (E)-3-Pentenenitrile c16529661  
1791 C5H7N (Z)-2-Pentenenitrile c25899507  
1792 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1793 C5H7N Cyclobutanecarbonitrile c4426113  
1794 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1795 C5H9N Butanenitrile, 2-methyl- c18936179  
1796 C5H9N Pentanenitrile c110598  
1797 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1798 C6H10 Bicyclo[3.1.0]hexane c285585  
1799 C5H11N Cyclopentanamine cypentam  
1800 C5H11N Piperidine piper  
1801 C4H12N2 1,2-Butanediamine c4426486  
1802 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1803 Li2CO3 Lithium Carbonate li2co3  
1804 Na2CO3 Sodium Carbonate na2co3  
1805 C2O4-- oxalate anion c2o4  
1806 MgSO4 Magnesium Sulfate mgso4  
1807 N2O4 Dinitrogen tetroxide n2o4  
1808 C3H2O3 vinylene carbonate vica  
1809 C2H2O4 Oxalic Acid oxalic  
1810 C2H3NO3 Oxamic acid oxamic  
1811 C4H4O2 2(5H)-Furanone furanone  
1812 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1813 C2H4N2O2 Oxalamide oxalamide  
1814 C2H4N2S2 Ethanedithioamide c79403  
1815 C2H4CO3 Ethylene carbonate etco3  
1816 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1817 C3H4S3 1,3-Dithiolane-2-thione c822388  
1818 C2H4O4 Formic acid dimer fadimer  
1819 C4H5NO 3-Methylisoxazole isox3m  
1820 C4H5NO Isoxazole, 5-methyl- c5765446  
1821 C4H5NS 4-Methylthiazole c693958  
1822 C2H5NO3 Nitric acid, ethyl ester c625581  
1823 C5H6O 2H-Pyran pyran2  
1824 C5H6O 2-methylfuran furan2m  
1825 C5H6O 3-Methylfuran furan3m  
1826 C5H6O Pentadienal pdal  
1827 C5H6S Thiophene, 2-methyl- c554143  
1828 C5H6S Thiophene, 3-methyl- c616444  
1829 C4H6O2 γ–Butyrolactone c96480  
1830 C4H6O2 2,3-Butanedione c431038  
1831 C4H6O2 2-Propenoic acid, methyl ester c96333  
1832 C4H6O2 Crotonic Acid crot  
1833 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1834 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1835 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1836 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1837 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1838 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1839 C4H6OS Vinyl sulfoxide c1115157  
1840 CH6N4S Carbonothioic dihydrazide thiacarb  
1841 C2H6N2O2 (E)-Azodioxymethane c37765154  
1842 C2H6N2O2 Dimethylnitroamine c4164287  
1843 C3H6O3 1,3,5-Trioxane trioxane  
1844 C3H6S3 1,3,5-Trithiane c3h6s3  
1845 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1846 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1847 C4H7NO 2-Pyrrolidinone c616455  
1848 C4H7NO Ethoxyacetonitrile etoaccn  
1849 C4H7NO Methacrylamide c79390  
1850 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1851 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1852 C3H7ONO Propyl nitrite prono  
1853 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1854 CH3CH(NH2)COOH Alanine alanine  
1855 CH3NHCH2COOH Sarcosine sarcosine  
1856 NH2CH2CH2COOH β–alanine betaalanine  
1857 NH2COOC2H5 Urethane urethane  
1858 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1859 C5H8O Cyclopentanone c120923  
1860 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1861 C5H8O Methyl cyclopropyl ketone c765435  
1862 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1863 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1864 NH2CONHC2H5 Urea, ethyl- c625525  
1865 C4H8O2 1,3-Dioxane dioxan13  
1866 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1867 C4H8O2 1,4-Dioxane dioxan14  
1868 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1869 C4H8O2 Ethyl acetate c141786  
1870 C4H8OS s-Ethyl thioacetate c625605  
1871 C3H8O3 1,2,3-Propanetriol glycerin  
1872 C3H8O2S (Methylsulfonyl)ethane c594434  
1873 C4H9NO Butanamide c541355  
1874 C4H9NO Propanamide, 2-methyl- c563837  
1875 C5H10O 2-Butanone, 3-methyl- c563804  
1876 C5H10O 2H-Pyran, tetrahydro- c142687  
1877 C5H10O 2-methylbutyraldehyde 2meba  
1878 C5H10O 2-Pentanone mpk  
1879 C5H10O 3-Pentanone dek  
1880 C5H10O Cyclopentanol c96413  
1881 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1882 C5H10O Pentanal pal  
1883 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1884 C5H10S 3-Ethylthio-1-propene c5296628  
1885 C5H10S Cyclopentanethiol c1679078  
1886 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1887 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1888 C4H10O2 1,1-Dimethoxyethane c534156  
1889 C4H10O2 1,3-Butanediol budiol13  
1890 C4H10O2 1,4-Butanediol budiol14  
1891 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1892 C4H10OS Diethyl sulfoxide c70291  
1893 C4H10S2 1,4-Butanedithiol budisl14  
1894 C4H11NO Diethylhydroxylamine c3710847  
1895 C5H12O 1-Butanol, 2-methyl- c137326  
1896 C5H12O 1-Butanol, 3-methyl- c123513  
1897 C5H12O 1-Pentanol pentanol1  
1898 C5H12O 2-Butanol, 3-methyl- c598754  
1899 C5H12O 2-Pentanol peol2  
1900 C5H12O 3-Pentanol pentan3ol  
1901 C5H12O Butane, 1-methoxy- meobu  
1902 C5H12O Propane, 1-ethoxy- proet  
1903 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1904 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1905 C5H12S 1-Butanethiol, 3-methyl- c541311  
1906 C5H12S 1-Pentanethiol c110667  
1907 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1908 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1909 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1910 C5H12S Butane, 1-(methylthio)- c628295  
1911 C5H12S Ethyl propyl sulfide c4110503  
1912 C5H12S Propane, 2-(ethylthio)- c5145993  
1913 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1914 C4F2 difluorobutadiyne c4f2  
1915 ClCOClCO Oxalyl chloride oxcl  
1916 CF3CN Acetonitrile, trifluoro- cf3cn  
1917 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1918 B2F4 Diboron tetrafluoride b2f4  
1919 B2Cl4 Diboron tetrachloride b2cl4  
1920 C2F4 Tetrafluoroethylene c2f4  
1921 C2F4+ Tetrafluoroethylene cation c2f4+  
1922 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1923 CF2CCl2 difluorodichloroethylene cf2ccl2  
1924 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1925 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1926 C2FCl3 fluorotrichloroethene c2fcl3  
1927 C2Cl4 Tetrachloroethylene c2cl4  
1928 C2Br4 tetrabromoethene c2br4  
1929 CF3OF Trifluoromethylhypofluorite cf3of  
1930 SiF5- silicon pentafluoride anion sif5-  
1931 SOF4 Sulfur tetrafluoride oxide sof4  
1932 PF5 Phosphorus pentafluoride pf5  
1933 AsF5 Arsenic pentafluoride asf5  
1934 PCl5 Phosphorus pentachloride pcl5  
1935 SF5 Sulfur pentafluoride sf5  
1936 SF5+ pentafluoro sulfur cation sf5+  
1937 SbCl5 Antimony pentachloride sbcl5  
1938 BrF5 bromine pentafluoride brf5  
1939 ClF5 chlorinepentafluoride clf5  
1940 IF5 pentafluoroiodine if5  
1941 CF3CHO trifluoroacetaldehyde cf3cho  
1942 CCl3CHO trichloroacetaldehyde ccl3cho  
1943 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1944 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1945 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1946 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1947 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1948 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1949 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1950 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1951 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1952 CF3COOH trifluoroacetic acid cf3cooh  
1953 C4H3ClO Furan, 2-chloro fur2cl  
1954 C4H3ClO Furan,3-chloro fur3cl  
1955 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1956 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1957 C4H8Cl2 1,4-Dichlorobutane c110565  
1958 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1959 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1960 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1961 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1962 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1963 C5H11Cl Pentane, 1-chloro- pencl1  
1964 C4H8O2 Butanoic acid bua  
1965 C6H5CH2 benzyl radical benzyl  
1966 C7H7 cycloheptatrienyl radical c7h7  
1967 C7H7+ cycloheptatrienyl cation c7h7+  
1968 C6H5CH3 toluene toluene  
1969 C7H8 cycloheptatriene cht  
1970 C7H8 Norbornadiene norbor  
1971 C7H8 Quadricyclane qucy  
1972 C7H12 Norbornane nor  
1973 C7H14 cycloheptane c7h14  
1974 C7H16 2-methylhexane 2mhex  
1975 C7H16 3-methylhexane hex3m  
1976 C7H16 heptane heptane  
1977 CH(CN)3 tricyanomethane mecn3  
1978 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1979 C6H7N 2-Methylpyridine mp  
1980 C6H5NH2 aniline aniline  
1981 C6H13N 2-Methylpiperidine pip2m  
1982 C6H13N cyclohexanamine cham  
1983 C6H15N triethylamine tea  
1984 N2O5 Dinitrogen pentoxide n2o5  
1985 C4H2O3 Maleic Anhydride malan  
1986 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1987 C5H4O2 furfural furfural  
1988 C6H5O phenoxy radical phenoxy  
1989 C5H5NO 2(1H)-Pyridinone c72762006  
1990 C5H5NO 2(3H)-Pyridinone c9000048  
1991 C5H5NO 2(5H)-Pyridinone c9000037  
1992 C5H5NO 2-Pyridinol c109104  
1993 C5H5NO 3(2H)-Pyridinone c9000004  
1994 C5H5NO 3(4H)-Pyridinone c9000026  
1995 C5H5NO 3(6H)-Pyridinone c9000015  
1996 C5H5NO 3-Pyridinol c109002  
1997 C5H5NO 4(1H)-Pryidinone c9000060  
1998 C5H5NO 4(3H)-Pryidinone c9000059  
1999 C5H5NO 4-Pyridinol c626642  
2000 C6H5OH phenol phenol  
2001 C6H6O 2,4-Cyclohexadienone c24599573  
2002 C6H6O 2,5-Cyclohexadienone c5664335  
2003 C6H5SH Benzenethiol phsh  
2004 HO2CCHNH2CH2OH Serine serine  
2005 C5H8O2 Acetylacetone acac  
2006 C4H8O2S Sulfolane sulfolane  
2007 C7H10 Norbornene norbornene  
2008 CH(C2H3)3 trivinyl methane tvm  
2009 C6H10O cyclohexanone chexo  
2010 C6H12O hexanal c6h12o  
2011 C6H12O Oxepane oxepane  
2012 C3H7OC3H7 di-n-propyl ether propr  
2013 F2CCCF2 tetrafluoroallene pfa  
2014 CF3COO- trifluoro acetate anion cf3coo-  
2015 CF3COF trifluoroacetyl fluoride cf3cof  
2016 CF3COCl trifluoroacetyl chloride cf3cocl  
2017 PF6 Hexafluorophosphate neutral pf6  
2018 PF6- Hexafluorophosphate ion pf6-  
2019 SF6 Sulfur Hexafluoride sf6  
2020 SeF6 Selenium hexafluoride sef6  
2021 SF5Cl sulfur chloropentafluoride sf5cl  
2022 CF3CHF2 pentafluoroethane cf3chf2  
2023 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2024 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2025 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2026 CCl3CHCl2 pentachloroethane ccl3chcl2  
2027 C6H5F Fluorobenzene bzf  
2028 C6H5Cl chlorobenzene bzcl  
2029 C6H5Br bromobenzene bzbr  
2030 C8H6 Calicene calicene  
2031 C6H5CCH phenylacetylene phac  
2032 C8H6 benzocyclobutadiene bcbd  
2033 C8H6 Pentalene pentalene  
2034 C6H5CHCH2 Styrene styrene  
2035 C8H8 cubane cubane  
2036 C8H8 cyclooctatetraene cot  
2037 C6H5CH2CH3 Ethylbenzene etbz  
2038 CH3C6H4CH3 meta-xylene mxylene  
2039 CH3C6H4CH3 paraxylene pxylene  
2040 C8H14 Bicyclo[2.2.2]octane bico222  
2041 C8H16 cyclooctane cyclooct  
2042 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2043 C8H18 Octane c8h18  
2044 C6H5CN phenyl cyanide phcn  
2045 C6H12N2 Triethylenediamine ted  
2046 C4O4-- squarate dianion c4o4--  
2047 S4N4 Tetrasulfur tetranitride s4n4  
2048 S8 Octasulfur s8  
2049 C6H4O2 parabenzoquinone pbq  
2050 C4H4N2O2 Uracil uracil  
2051 C6H5CHO benzaldehyde benzal  
2052 C6H5OCH3 Anisole anisole  
2053 C5H9NO2 Proline proline  
2054 C6H12O2 Methyl pivalate c598981  
2055 C6H12O2 Hexanoic acid hexa  
2056 C4F4 tetrafluorcyclobutadiene c4f4  
2057 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2058 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2059 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2060 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2061 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2062 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2063 C2F6 hexafluoroethane c2f6  
2064 C2Cl6 hexachloroethane c2cl6  
2065 IF7 Iodine heptafluoride if7  
2066 C6H4F2 metadifluorobenzene mdfb  
2067 C6H4F2 orthodifluorobenzene odfb  
2068 C6H4F2 1,4-difluorobenzene pdfb  
2069 C6H4Cl2 1,2-dichlorobenzene dcb12  
2070 C6H4Cl2 1,3-dichlorobenzene dcb13  
2071 C6H4Cl2 1,4-dichlorobenzene dcb14  
2072 C6H5NO nitrosobenzene bzno  
2073 C9H8 Indene indene  
2074 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2075 C9H12 n-propyl benzene prbz  
2076 C9H20 Nonane nonane  
2077 C(CN)4 tetracyanomethane c5n4  
2078 C5H4N4 purine purine  
2079 C8H7N Indole indole  
2080 C3H3N3O3 cyanuric acid cyanuric  
2081 C6H5NO2 Nitrobenzene c6h5no2  
2082 C6H5COOH benzoic acid benzo  
2083 CH3COC6H5 acetophenone acph  
2084 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2085 C3F6 hexafluoropropene c3f6  
2086 C6H3F3 Benzene trifluoride 123 bzf3a  
2087 C8H18O 1-Octanol octanol  
2088 C10H8 Azulene azu  
2089 C10H8 naphthalene naph  
2090 C10H10 bullvalene bullv  
2091 C10H16 adamantane adamantane  
2092 C6N4 Tetracyanoethylene tcne  
2093 C6N4- tetracyanoethylene anion tcne-  
2094 C10H22 Decane decane  
2095 C4F6 perfluorobutadiene c4f6  
2096 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2097 C3F8 perfluoropropane c3f8  
2098 Fe(CO)5 Iron pentacarbonyl ipc  
2099 Fe(C5H5)2 ferrocene fecp2  
2100 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2101 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2102 C12H8 Acenaphthylene acenaph  
2103 C12H8 biphenylene biph  
2104 C12H10 biphenyl biphenyl  
2105 C12H10 Heptalene heptalene  
2106 C6H12O6 Inositol inositol  
2107 C6F6 hexafluorobenzene c6f6  
2108 S2F10 disulphur decafluoride s2f10  
2109 C13H10 Fluorene fluorene  
2110 C14H10 Anthracene anth  
2111 C14H10 Phenanthrene phenanthrene  
2112 C14H14 Bibenzyl bibenzyl  
2113 C12H10N2 azobenzene azobenzene  
2114 C6H5COC6H5 benzophenone benzophenone  
2115 C16H10 Pyrene pyrene  
2116 C18H12 Tetracene tetracene  
2117 C19H16 Triphenylmethane tpm  
2118 C24H12 Coronene coronene  
2119 C60 Buckminsterfullerene c60