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 ROHF /cc-pCVTZ

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count Species Name State Conformation
1 NaH+ sodium hydride cation 2ΣC∞v
2 BeH beryllium monohydride 2ΣC∞v
3 SiH Silylidyne 2ΠC∞v
4 CH3 Methyl radical 2A1D3h
5 CH3- methyl anion 1A1C3v
6 SiH3 Silyl radical 2A1C3v
7 HS Mercapto radical 2ΠC∞v
8 H2S+ Hydrogen sulfide cation 2B1C2v
9 H3S+ Sulfonium cation 1A1C3v
10 HCl+ hydrogen chloride cation 2ΠC∞v
11 H2Cl+ dihydrogen monochloride cation 1A1C2v
12 LiB Lithium boride 3ΠC∞v
13 SiC silicon monocarbide 3ΣC∞v
14 AlN Aluminum nitride 3ΠiC∞v
15 CN Cyano radical 2ΣC∞v
16 SiP Silicon monophosphide 2ΠC∞v
17 NNH+ Dinitrogen monohydride cation 1ΣC∞v
18 LiO lithium oxide 2ΣC∞v
19 LiS Lithium monosulfide 2ΠC∞v
20 LiS+ Lithium sulfide cation 3ΣC∞v
21 NaO sodium monoxide 2ΣC∞v
22 BO boron monoxide 2ΣC∞v
23 CO Carbon monoxide 1ΣC∞v
24 CO- carbon monoxide anion 2ΠC∞v
25 CO+ carbon monoxide cation 2ΣC∞v
26 NO Nitric oxide 2ΠC∞v
27 NS Mononitrogen monosulfide 2ΠC∞v
28 PO Phosphorus monoxide 2ΠC∞v
29 PS phosphorus sulfide 2ΣC∞v
30 O2 Oxygen diatomic 3ΣgD∞h
31 SO Sulfur monoxide 3ΣC∞v
32 HO2 Hydroperoxy radical 2A"Cs
33 SOH Sulfur Hydroxide   
34 HS2 Thiosulfeno radical 2A"Cs
35 H2CS Thioformaldehyde 1A1C2v
36 H2S2+ hydrogen disulfide cation 2BgC2h
37 CH3SH+ Methanethiol cation 2A"Cs
38 CF Fluoromethylidyne 2ΠC∞v
39 SiF silicon monofluoride 2ΠC∞v
40 SiF+ silicon monofluoride cation 1ΣC∞v
41 NCl nitrogen monochloride 3ΣC∞v
42 ClO Monochlorine monoxide 2ΠC∞v
43 SF Monosulfur monofluoride 2ΠC∞v
44 SF+ sulfur monofluoride cation 3ΣC∞v
45 SCl sulfur monochloride 2ΠC∞v
46 SCl+ sulfur monochloride cation 3ΣgC∞v
47 ClF Chlorine monofluoride 1Σ+C∞v
48 Cl2+ chlorine diatomic cation 2ΠgD∞h
49 CH2Cl chloromethyl radical 2B1C2v
50 LiCN lithium cyanide 1ΣC*V LiCN
51 LiCN lithium cyanide 1A'Cs
52 LiCN lithium cyanide 1ΣC*V LiNC
53 CCO Dicarbon monoxide 3ΣC∞v
54 SiS2 Silicon disulfide 1ΣGD∞h
55 NSO sulfinyl amidogen   
56 SNO Nitrogen oxide sulfide   
57 SO2 Sulfur dioxide 1A1C2v
58 S3+ Sulfur trimer cation 2B2C2v
59 BH3CO Borane carbonyl 1A1C3v
60 FNS Thionitrosyl fluoride 1A'Cs
61 OPCl Phosphorus oxychloride   
62 CF2 Difluoromethylene 1A1D∞h
63 OClO Chlorine dioxide 2B1D∞h
64 ClSO Sulfur chloride oxide 2A"Cs
65 SO3 Sulfur trioxide 1A1'D3h
66 S4 Sulfur tetramer   
67 SF3 Sulfur trifluoride 2A'Cs
68 SF4 Sulfur tetrafluoride 1A1C2v

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