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) /6-31G

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count Species Name State Conformation
1 D Deuterium atom 1SKh
2 H Hydrogen atom 1SKh
3 H+ Hydrogen atom cation  Kh
4 H2 Hydrogen diatomic 1ΣgD∞h
5 He Helium atom 1SKh
6 Li Lithium atom 2SKh
7 Na Sodium atom 2SKh
8 K Potassium atom 2SKh
9 Cu Copper atom 2SKh
10 LiH Lithium Hydride 1ΣC∞v
11 Be Beryllium atom 1SKh
12 Be+ Beryllium atom cation 2SKh
13 Mg Magnesium atom 1SKh
14 Mg+ Magnesium atom cation 2SKh
15 Ca Calcium atom 1SKh
16 Zn Zinc atom 1SKh
17 CaH Calcium monohydride 2ΣC∞v
18 B Boron atom 2PKh
19 B Boron atom 4PKh
20 B+ Boron atom cation 1SKh
21 Al Aluminum atom 2PKh
22 Al+ Aluminum atom cation 1SKh
23 C Carbon atom 3P0Kh
24 C Carbon atom 3P1Kh
25 C+ Carbon atom cation 2PKh
26 Si Silicon atom 3PKh
27 Si Silicon atom 1SKh
28 Si+ Silicon atom cation 2PKh
29 CH4 Methane 1A1Td
30 N Nitrogen atom 4SKh
31 N+ Nitrogen atom cation 3PKh
32 P Phosphorus atom 4SKh
33 NH3 Ammonia 1A1C3v
34 O Oxygen atom 3SKh
35 O+ Oxygen atom cation 4SKh
36 S Sulfur atom 3PKh
37 OH Hydroxyl radical 2ΠC∞v
38 H2O Water 1A1C2v
39 F Fluorine atom 2PKh
40 F+ Fluorine atom cation 3SKh
41 Cl Chlorine atom 2PKh
42 Cl+ Chlorine atom cation 3PKh
43 Br Bromine atom 2PKh
44 HF Hydrogen fluoride 1ΣC∞v
45 HCl Hydrogen chloride 1ΣC∞v
46 Ne Neon atom 1SKh
47 Ne+ Neon atom cation 2PKh
48 Ar Argon atom 1SKh
49 Na2 Sodium diatomic 1ΣgD∞h
50 C2H2 Acetylene 1ΣgD∞h
51 CuCH3 monomethyl copper 1A1C3v
52 C2H4 Ethylene 1AgD2h
53 C2H6 Ethane 1A1gD3d
54 N2 Nitrogen diatomic 1ΣgD∞h
55 CaO Calcium monoxide 1ΣC∞v
56 CO Carbon monoxide 1ΣC∞v
57 CS carbon monosulfide 1ΣC∞v
58 NO Nitric oxide 2ΠC∞v
59 O2 Oxygen diatomic 3ΣgD∞h
60 CaOH Calcium monohydroxide 2Σ+C∞v
61 H2CO Formaldehyde 1A1C2v
62 CuF Copper monofluoride 1ΣC∞v
63 LiBr Lithium Bromide 1ΣC∞v
64 CuCl Copper monochloride 1ΣC∞v
65 NaBr Sodium Bromide 1ΣC∞v
66 CaF Calcium monofluoride 2ΣC∞v
67 CaCl calcium monochloride 2ΣC∞v
68 BF Boron monofluoride 1ΣC∞v
69 F2 Fluorine diatomic 1ΣgD∞h
70 Cl2 Chlorine diatomic 1ΣgD∞h
71 C3H5 Allyl radical 2A2C2v
72 C3H6 Cyclopropane 1A1'D3h
73 CH2CHCH3 Propene 1A'Cs
74 CO2 Carbon dioxide 1ΣgD∞h
75 SO2 Sulfur dioxide 1A1C2v
76 CH3CO Acetyl radical 2A'Cs
77 CaF2 Calcium difluoride 1ΣgC2v
78 BF3 Borane, trifluoro- 1A'D3h
79 AlF3 Aluminum trifluoride 1A1'D3h
80 CaCO3 Calcium Carbonate 1A1C2v

Species NOT done yet
count Species Name file name problem
1 D- Deuterium atom anion d-  
2 D+ Deuterium atom cation d+  
3 H- Hydrogen atom anion h-  
4 D2 Deuterium diatomic d2  
5 H2- hydrogen diatomic anion h2-  
6 H2+ Hydrogen cation h2+  
7 HD Deuterium hydride hd  
8 H3+ hydrogen trimer cation h3+  
9 He- Helium atom anion he-  
10 He+ Helium atom cation he+  
11 HeH Helium hydride heh  
12 HeH+ Helium hydride cation heh+  
13 He2+ helium diatomic cation he2+  
14 Li- Lithium atom anion li-  
15 Li+ Lithium atom cation li+  
16 Na- Sodium atom anion na-  
17 Na+ Sodium atom cation na+  
18 K- Potassium atom anion k-  
19 K+ Potassium atom cation k+  
20 Cu- Copper atom anion cu-  
21 Cu+ Copper atom cation cu+  
22 LiH- lithium hydride anion lih-  
23 LiH+ lithium hydride cation lih+  
24 NaH sodium hydride nah  
25 NaH- sodium hydride anion nah-  
26 NaH+ sodium hydride cation nah+  
27 KH Potassium hydride kh  
28 KH+ Potassium hydrogen cation kh+  
29 CuH Copper monohydride cuh  
30 Be- Beryllium atom anion be-  
31 Mg- Magnesium atom anion mg-  
32 Ca- Calcium atom anion ca-  
33 Ca+ Calcium atom cation ca+  
34 Zn- Zinc atom anion zn-  
35 Zn+ Zinc atom cation zn+  
36 BeH beryllium monohydride beh  
37 BeH- berylium monohydride anion beh-  
38 BeH+ beryllium monohydride cation beh+  
39 MgH magnesium monohydride mgh  
40 MgH- magnesium monohydride anion mgh-  
41 MgH+ magnesium monohydride cation mgh+  
42 CaH+ Calcium monohydride cation cah+  
43 TiH Titanium monohydride tih  
44 ZnH Zinc monohydride znh  
45 ZnH+ Zinc, protonated znh+  
46 BeH2 beryllium dihydride beh2  
47 BeH2+ Beryllium dihydride cation beh2+  
48 MgH2 magnesium dihydride mgh2  
49 CaH2 Calcium Hydride cah2  
50 ZnH2 Zinc hydride znh2  
51 B- Boron atom anion b-  
52 Al- Aluminum atom anion al-  
53 Sc Scandium atom sc  
54 Sc+ Scandium cation sc+  
55 Ga Gallium atom ga  
56 Ga- Gallium atom anion ga-  
57 Ga+ Gallium atom cation ga+  
58 BH Boron monohydride bh  
59 BH- boron monohydride anion bh-  
60 BH+ boron monohydride cation bh+  
61 AlH aluminum monohydride alh  
62 AlH- aluminum monohydride anion alh-  
63 AlH+ aluminum monohydride cation alh+  
64 ScH Scandium monohydride sch  
65 ScH+ Scandium monohydride cation sch+  
66 GaH Gallium monohydride gah  
67 GaH+ Gallium monohydride cation gah+  
68 BH2 boron dihydride bh2  
69 BH2- boron dihydride anion bh2-  
70 BH2+ Boron dihydride cation bh2+  
71 AlH2 aluminum dihydride alh2  
72 AlH2- aluminum dihydride anion alh2-  
73 AlH2+ aluminum dihydride cation alh2+  
74 BH3 boron trihydride bh3  
75 BH3- boron trihydride anion bh3-  
76 BH3+ boron trihydride cation bh3+  
77 AlH3 aluminum trihydride alh3  
78 AlH3- aluminum trihydride anion alh3-  
79 AlH3+ aluminum trihydride cation alh3+  
80 ScH3 Scandium trihydride sch3  
81 GaH3 Gallium trihydride gah3  
82 BH4 borohydride bh4  
83 BH4- borohydride anion bh4-  
84 AlH4- Aluminum tetrahydride anion alh4-  
85 C- Carbon atom anion c-  
86 Si- Silicon atom anion si-  
87 Ti Titanium atom ti  
88 Ti- Titanium atom anion ti-  
89 Ti+ Titanium atom cation ti+  
90 Ge Germanium atom ge  
91 Ge- Germanium anion ge-  
92 Ge+ Germanium cation ge+  
93 Sn Tin atom sn  
94 Sn+ Tin cation sn+  
95 CH Methylidyne ch  
96 CH- methylidyne anion ch-  
97 CH+ Methylidyne cation ch+  
98 SiH Silylidyne sih  
99 SiH- silicon monohydride anion sih-  
100 SiH+ silicon monohydride cation sih+  
101 GeH germylidene geh  
102 GeH+ Germaniun monohyrdide cation geh+  
103 CH2 Methylene ch2  
104 CH2- methylene anion ch2-  
105 CH2+ methylene cation ch2+  
106 SiH2 silicon dihydride sih2  
107 SiH2- silicon dihydride anion sih2-  
108 SiH2+ silicon dihydride cation sih2+  
109 GeH2 germylene geh2  
110 GeH2- germylene anion geh2-  
111 CH3 Methyl radical ch3  
112 CH3- methyl anion ch3-  
113 CH3+ methyl cation ch3+  
114 SiH3 Silyl radical sih3  
115 SiH3- Silyl anion sih3-  
116 SiH3+ Silyl cation sih3+  
117 GeH3 Germyl radical geh3  
118 GeH3+ germyl cation geh3+  
119 CD4 methane-d4 cd4  
120 CH2D2 methane-d2 ch2d2  
121 CH3D methane-d ch3d  
122 CH4- Methane anion ch4-  
123 CH4+ Methane cation ch4+  
124 CHD3 methane-d3 chd3  
125 SiH2D2 silane-d2 sih2d2  
126 SiH4 Silane sih4  
127 SiH4+ Silane cation sih4+  
128 GeH4 Germane geh4  
129 SnH4 Stannane snh4  
130 SiH5+ Silane, protonated sih5+  
131 N- Nitrogen atom anion n-  
132 P- Phosphorus atom anion p-  
133 P+ Phosphorus atom cation p+  
134 V Vanadium atom v  
135 V+ Vanadium atom cation v+  
136 As Arsenic atomic as  
137 As- Arsenic anion as-  
138 As+ Arsenic cation as+  
139 Sb Antimony atom sb  
140 NH Imidogen nh  
141 NH- Imidogen anion nh-  
142 NH+ imidogen cation nh+  
143 PH phosphorus monohydride ph  
144 PH- phosphorus monohydride anion ph-  
145 PH+ phosphorus monohydride cation ph+  
146 AsH Arsenic monohydride ash  
147 AsH+ Arsenic monohydride cation ash+  
148 SbH Antimony monohydride sbh  
149 ND2 Amidogen-d2 nd2  
150 NH2 Amino radical nh2  
151 NH2- amino anion nh2-  
152 NH2+ Amino cation nh2+  
153 PH2 Phosphino radical ph2  
154 PH2- Phosphino anion ph2-  
155 PH2+ Phosphino cation ph2+  
156 AsH2 Arsenic dihydride ash2  
157 AsH2+ Arsenic dihydride cation ash2+  
158 ND3 Ammonia-d3 nd3  
159 NH3- Ammonia anion nh3-  
160 NH3+ ammonia cation nh3+  
161 PH3 Phosphine ph3  
162 PH3+ Phosphine cation ph3+  
163 AsH3 Arsine ash3  
164 AsH3+ Arsine cation ash3+  
165 SbH3 Stibine sbh3  
166 AsH4+ Arsonium ash4+  
167 NH4 Ammonium radical nh4  
168 NH4+ ammonium cation nh4+  
169 PH4 Phosphoranyl radical ph4  
170 PH4+ phosphonium cation ph4+  
171 O- Oxygen atom anion o-  
172 S- Sulfur atom anion s-  
173 S+ Sulfur atom cation s+  
174 Cr Chromium atom cr  
175 Se Selenium atom se  
176 Se- Selenium atom anion se-  
177 Se+ Selenium atom cation se+  
178 Te Tellurium atom te  
179 Te+ Tellurium atom cation te+  
180 DO Hydroxyl-d od  
181 OH- hydroxide anion oh-  
182 OH+ hydoxyl cation oh+  
183 DS Mercapto-d ds  
184 HS Mercapto radical hs  
185 HS- mercapto anion sh-  
186 HS+ sulfur monohydride cation sh+  
187 CrH Chromium hydride crh  
188 CrH+ Chromium hydride cation crh+  
189 HSe Selenium monohydride hse  
190 HSe- selenium monohydride anion hse-  
191 HSe+ selenium monohydride cation hse+  
192 TeH Telluryl radical teh  
193 D2O Deuterium oxide d2o  
194 H2O- water anion h2o-  
195 H2O+ water cation h2o+  
196 HDO Water-d1 hdo  
197 D2S Hydrogen sulfide-d2 d2s  
198 H2S Hydrogen sulfide h2s  
199 H2S- Hydrogen sulfide anion h2s-  
200 H2S+ Hydrogen sulfide cation h2s+  
201 H2Se Hydrogen selenide h2se  
202 H2Se+ Hydrogen selenide cation h2se+  
203 H2Te Hydrogen Telluride h2te  
204 H3O+ hydronium cation h3o+  
205 H3S+ Sulfonium cation h3s+  
206 H3Se+ Hydrogen Selenide, protonated h3se+  
207 F- Fluorine atom anion f-  
208 Cl- Chlorine atom anion cl-  
209 Mn Manganese atom mn  
210 Br- Bromine atom anion br-  
211 Br+ Bromine atom cation br+  
212 I Iodine atom iodine  
213 I- Iodine atom anion iodine-  
214 I+ Iodine atom cation iodine+  
215 DF Hydrofluoric acid-d df  
216 HF- hydrogen fluoride anion hf-  
217 HF+ hydrogen fluoride cation hf+  
218 DCl Hydrochloric acid-d dcl  
219 HCl- hydrogen chloride anion hcl-  
220 HCl+ hydrogen chloride cation hcl+  
221 HBr hydrogen bromide hbr  
222 HBr- hydrogen bromide anion hbr-  
223 HBr+ hydrogen bromide cation hbr+  
224 HI Hydrogen iodide hi  
225 HI+ Hydrogen iodide cation hi+  
226 H2F+ dihydrogen fluoride cation h2f+  
227 H2Cl+ dihydrogen monochloride cation h2cl+  
228 H2Br+ protonated hydrogen bromide h2br+  
229 H2I+ Iodonium h2i+  
230 Ne- Neon atom anion ne-  
231 Ar- Argon atom anion ar-  
232 Ar+ Argon atom cation ar+  
233 Fe Iron atom fe  
234 Kr Krypton atom kr  
235 Kr+ Krypton cation kr+  
236 Xe Xenon atom xe  
237 HeLi+ Helium Lithium cation heli+  
238 NeH neon hydrogen neh  
239 NeH+ neon hydrogen cation neh+  
240 ArH+ Argon hydride cation arh+  
241 KrH+ Protonated Krypton krh+  
242 XeH+ Xenon, protonated xeh+  
243 H2Ar H2 Ar dimer h2ar  
244 Co Cobalt atom cobalt  
245 Ni Nickel atom ni  
246 Li2 Lithium diatomic li2  
247 Li2- lithium diatomic anion li2-  
248 Li2+ lithium diatomic cation li2+  
249 NaLi lithium sodium lina  
250 NaLi- lithium sodium anion lina-  
251 NaLi+ lithium sodium cation lina+  
252 LiK Lithium Potassium lik  
253 Na2- sodium diatomic anion na2-  
254 Na2+ sodium diatomic cation na2+  
255 NaK Sodium Potassium nak  
256 NaK+ Sodium Potassium diatomic cation nak+  
257 K2 Potassium diatomic k2  
258 Cu2 Copper diatomic cu2  
259 LiBe Lithium Beryllium libe  
260 LiMg Lithium magnesium limg  
261 NaBe Sodium Beryllium nabe  
262 NaMg Sodium Magnesium namg  
263 Be2 Beryllium diatomic be2  
264 Be2- Beryllium diatomic anion be2-  
265 Be2+ Beryllium diatomic cation be2+  
266 BeMg Beryllium Magnesium bemg  
267 Mg2 Magnesium diatomic mg2  
268 Mg2- magnesium diatomic anion mg2-  
269 Mg2+ magnesium diatomic cation mg2+  
270 Ca2 Calcium diatomic ca2  
271 LiB Lithium boride lib  
272 LiAl Lithium Aluminum lial  
273 NaAl Sodium aluminum naal  
274 BeB Beryllium monoboride beb  
275 B2 Boron diatomic b2  
276 B2- Boron diatomic anion b2-  
277 B2+ Boron diatomic cation b2+  
278 BAl Boron Aluminum bal  
279 Al2 Aluminum diatomic al2  
280 Al2- aluminum diatomic anion al2-  
281 Al2+ aluminum diatomic cation al2+  
282 BGa Boron Gallium bga  
283 AlGa Aluminum Gallium alga  
284 Ga2 Gallium diatomic ga2  
285 HBBH Diborane(2) hbbh  
286 LiBH4 Lithium borohydride libh4  
287 B2H4 Diborane(4) D2d b2h4  
288 HBHHBH Diborane(4) C2V hbhhbh  
289 B2H6 Diborane b2h6  
290 B2H6+ Diborane cation b2h6  
291 Al2H6 dialane al2h6  
292 Ga2H6 digallane ga2h6  
293 LiC Lithium Carbide lic  
294 BeC Beryllium Carbide bec  
295 CaC Calcium monocarbide cac  
296 BC boron monocarbide bc  
297 BC- boron monocarbide anion bc-  
298 BC+ boron monocarbide cation bc+  
299 AlC Aluminum carbide alc  
300 BSi Boron silicide bsi  
301 C2 Carbon diatomic c2  
302 C2- carbon diatomic anion c2-  
303 C2+ carbon diatomic cation c2+  
304 SiC silicon monocarbide sic  
305 SiC- silicon monocarbide anion sic-  
306 SiC+ silicon monocarbide cation sic+  
307 Si2 Silicon diatomic si2  
308 Si2- silcon diatomic anion si2-  
309 Si2+ silcon diatomic cation si2+  
310 GeC Germanium monocarbide gec  
311 SiGe Silicon Germanium sige  
312 Ge2 Germanium diatomic ge2  
313 C2H Ethynyl radical c2h  
314 C2H- Ethynyl anion c2h-  
315 C2H+ Ethynyl cation c2h+  
316 ZnCH2 Zinc methylene znch2  
317 C2H2+ acetylene cation c2h2+  
318 CCH2 vinylidene vinylidene  
319 H2CC- vinylidene anion h2cc-  
320 HCCH- acetylene anion c2h2-  
321 Si2H2 disilyne si2h2  
322 CH3Li methyl lithium ch3li  
323 ZnCH3 Zinc monomethyl znch3  
324 CH2BH methyleneborane ch2bh  
325 C2H3 vinyl c2h3  
326 C2H3- vinyl anion c2h3-  
327 C2H3+ vinyl cation c2h3+  
328 C2H4- Ethylene anion c2h4-  
329 C2H4+ Ethylene cation c2h4+  
330 CH3CH methylmethylene ch3ch  
331 CH2SiH2 silaethylene ch2sih2  
332 Si2H4 Disilene si2h4  
333 CH3BH2 methylborane ch3bh2  
334 C2H5 Ethyl radical c2h5  
335 C2H5- Ethyl anion c2h5-  
336 C2H5+ Ethyl cation c2h5+  
337 C2H6+ ethane cation c2h6+  
338 CH3SiH3 methyl silane ch3sih3  
339 Si2H6 disilane si2h6  
340 GeH3CH3 methyl germane geh3ch3  
341 C2H7+ Ethane, protonated c2h7+  
342 LiN Lithium Nitride lin  
343 LiN+ Lithium Nitride cation lin+  
344 LiP Lithium monophosphide lip  
345 BeN Beryllium mononitride ben  
346 BeN- Beryllium mononitride anion ben-  
347 BeN+ Beryllium mononitride cation ben+  
348 MgN Magnesium Nitride mgn  
349 BN- boron nitride anion bn-  
350 AlN- aluminum mononitride anion aln-  
351 AlN+ aluminum mononitride cation aln+  
352 BP Boron monophosphide bp  
353 AlP Aluminum monophosphide alp  
354 GaN Gallium mononitride gan  
355 GaP Gallium monophosphide gap  
356 GaAs Gallium arsenide gaas  
357 BN boron nitride bn  
358 BN+ boron nitride cation bn+  
359 AlN Aluminum nitride aln  
360 CN Cyano radical cn  
361 CN- cyanide anion cn-  
362 CN+ Cyano cation cn+  
363 CP Carbon monophosphide cp  
364 CP- carbon monophosphide anion cp-  
365 CP+ carbon monophosphide cation cp+  
366 SiN Silicon nitride sin  
367 SiN- silicon mononitride anion sin-  
368 SiN+ silicon mononitride cation sin+  
369 SiP Silicon monophosphide sip  
370 SiP- Silicon monophosphide anion sip-  
371 SiP+ Silicon monophosphide cation sip+  
372 TiN Titanium mononitride tin  
373 N2- nitrogen diatomic anion n2-  
374 N2+ diatomic nitrogen cation n2+  
375 PN Phosphorus mononitride pn  
376 PN- phosphorus nitride anion pn-  
377 PN+ phosphorus nitride cation pn+  
378 P2 Phosphorus diatomic p2  
379 P2- phosphorus diatomic anion p2-  
380 P2+ phosphorus diatomic cation p2+  
381 AsN Arsenic mononitride asn  
382 AsP Arsenic monophosphide asp  
383 SbN Antimony nitride sbn  
384 As2 Arsenic diatomic as2  
385 HNB hydrogen nitrogen boron hnb  
386 HNC hydrogen isocyanide hnc  
387 HCN Hydrogen cyanide hcn  
388 HCN- Hydrogen cyanide anion hcn-  
389 HCN+ hydrogen cyanide cation hcn+  
390 HNC+ hydrogen isocyanide cation hnc+  
391 HCP Phosphaethyne hcp  
392 HCP+ Phosphaethyne cation hcp+  
393 NNH Dinitrogen monohydride nnh  
394 NNH+ Dinitrogen monohydride cation nnh+  
395 HPO Hydrogen phosphorus oxide hpo  
396 HPO+ Hydrogen phosphorus oxide cation hpo+  
397 LiNH2 lithium amide linh2  
398 HBNH Boranimine hbnh  
399 CNH2 Aminomethylidyne radical cnh2  
400 CNH2+ N-protonated hydrogen isocyanide cnh2+  
401 H2CN Dihydrogen cyanide radical h2cn  
402 H2CN+ hydrocyanonium cation h2cn+  
403 HCNH methyleneazane hcnh  
404 HCNH+ N-protonated HCN hcnh+  
405 H2NN Isodiazene h2nn  
406 N2H2 (E)-diazene n2h2  
407 N2H2 (Z)-Diazene n2h2z  
408 N2H2+ trans-diazene cation n2h2+  
409 CH2NH Methanimine ch3n  
410 CH2NH+ Methanimine cation ch2nh+  
411 CHNH2 aminomethylene chnh2  
412 CHNH2+ Aminocarbene cation chnh2+  
413 CH2PH Phosphaethene ch3p  
414 BH2NH2 Boranamine bh2nh2  
415 CH2NH2+ methyleneamine cation ch2nh2+  
416 N2H4 Hydrazine n2h4  
417 N2H4+ hydrazine cation n2h4+  
418 P2H4 Diphosphine p2h4  
419 CH3NH2 methyl amine ch3nh2  
420 CH3NH2+ methyl amine cation ch3nh2+  
421 CH3PH2 Methyl phosphine ch3ph2  
422 SiH3NH2 Silane, amino sih3nh2  
423 N2H5+ protonated hydrazine n2h5+  
424 BH3PH3 borane phosphine bh3ph3  
425 BH3NH3 borane ammonia bh3nh3  
426 CH3NH3 methyl ammonium radical ch3nh3  
427 CH3NH3+ protonated methylamine ch3nh3+  
428 CH3PH3+ methyl phosphine, protonated ch3ph3+  
429 NH3NH3 Ammonia Dimer nh3nh3  
430 N2H7+ ammonia ammonium dimer n2h7+  
431 LiO lithium oxide lio  
432 LiO- lithium oxide anion lio-  
433 LiO+ lithium oxide cation lio+  
434 LiS Lithium monosulfide lis  
435 LiS+ Lithium sulfide cation lis+  
436 NaO sodium monoxide nao  
437 NaO- sodium oxide anion nao-  
438 NaO+ sodium oxide cation nao+  
439 KO Potassium monoxide ko  
440 KO+ Potassium monoxide cation ko+  
441 NaS Sodium sulfide nas  
442 CuO Copper Monoxide cuo  
443 LiSe Lithium monoselenide lise  
444 BeO beryllium oxide beo  
445 BeO- Beryllium monoxide anion beo-  
446 BeO+ Beryllium monoxide cation beo+  
447 BeS beryllium sulfide bes  
448 MgO magnesium oxide mgo  
449 MgO- magnesium oxide anion mgo-  
450 MgO+ magnesium oxide cation mgo+  
451 MgS magnesium sulfide mgs  
452 MgS- magnesium sulfide anion mgs-  
453 MgS+ magnesium sulfide cation mgs+  
454 CaS Calcium sulfide cas  
455 ZnO zinc monoxide zno  
456 ZnS Zinc sulfide zns  
457 BeS- Beryllium monosulfide anion bes-  
458 BeS+ Beryllium monosulfide cation bes+  
459 BO boron monoxide bo  
460 BO- boron monoxide anion bo-  
461 AlO Aluminum monoxide alo  
462 AlO- Aluminum monoxide anion alo-  
463 AlO+ aluminum monoxide cation alo+  
464 BS boron sulfide bs  
465 BS- boron monosulfide anion bs-  
466 BS+ boron monosulfide cation bs+  
467 AlS Aluminum sulfide als  
468 AlS- aluminum monosulfide anion als-  
469 AlS+ aluminum monosulfide cation als+  
470 ScO Scandium monoxide sco  
471 GaO Gallium monoxide gao  
472 GaS Gallium monosulfide gas  
473 BO+ boron monoxide cation bo+  
474 CO- carbon monoxide anion co-  
475 CO+ carbon monoxide cation co+  
476 CS- carbon monosulfide anion cs-  
477 CS+ carbon monosulfide cation cs+  
478 SiO Silicon monoxide sio  
479 SiO- silicon monoxide anion sio-  
480 SiO+ silicon monoxide cation sio+  
481 SiS silicon monosulfide sis  
482 SiS- silicon monosulfide anion sis-  
483 SiS+ silicon monosulfide cation sis+  
484 TiO Titanium monoxide tio  
485 CSe Carbon monoselenide cse  
486 CSe- Carbon monoselenide anion cse-  
487 CSe+ Carbon monoselenide cation cse+  
488 GeO Germanium monoxide geo  
489 GeO+ Germanium monoxide cation geo+  
490 GeS Germanium monosulfide ges  
491 SiSe Silicon Monoselenide sise  
492 SiSe+ Silicon Monoselenide cation sise+  
493 GeSe Germanium monoselenide gese  
494 NO- nitric oxide anion no-  
495 NO+ nitric oxide cation no+  
496 NS Mononitrogen monosulfide ns  
497 NS- nitrogen sulfide anion ns-  
498 NS+ nitrogen sulfide cation ns+  
499 PO Phosphorus monoxide po  
500 PO- phosphorus monoxide anion po-  
501 PO+ phosphorus monoxide cation po+  
502 PS phosphorus sulfide ps  
503 PS- phosphorus monosulfide anion ps-  
504 PS+ phosphorus monosulfide cation ps+  
505 VO Vanadium monoxide vo  
506 AsO Arsenic monoxide aso  
507 NSe Nitrogen monoselenide nse  
508 AsS Arsenic monosulfide ass  
509 PSe Phosphorus monoselenide pse  
510 AsSe Arsenic monoselenide asse  
511 O2- oxygen diatomic anion o2-  
512 O2-- dioxygen dianion o2--  
513 O2+ diatomic oxygen cation o2+  
514 SO Sulfur monoxide so  
515 SO- sulfur monoxide anion so-  
516 SO+ sulfur monoxide cation so+  
517 S2 Sulfur diatomic s2  
518 S2- sulfur diatomic anion s2-  
519 S2+ sulfur diatomic cation s2+  
520 SeO Selenium monoxide seo  
521 SeO- selenium monoxide anion seo-  
522 SeO+ selenium monoxide cation seo+  
523 SeS Selenium monosulfide ses  
524 SeS- selenium monosulfide anion ses-  
525 SeS+ selenium monosulfide cation ses+  
526 TeO Tellurium monoxide teo  
527 Se2 Selenium diatomic se2  
528 Se2- selenium diatomic anion se2-  
529 Se2+ selenium diatomic cation se2+  
530 Te2 Tellurium diatomic te2  
531 LiOH lithium hydroxide lioh  
532 NaOH sodium hydroxide naoh  
533 KOH Potassium hydroxide koh  
534 BeOH beryllium monohydroxide beoh  
535 MgOH magnesium hydroxide mgoh  
536 HBO Boron hydride oxide hbo  
537 HBS hydrogen boron sulfide hbs  
538 COH Hydroxymethylidyne coh  
539 COH+ Carbon Monoxide, protonated coh+  
540 HCO Formyl radical hco  
541 HCO- formyl anion hco-  
542 HCO+ Formyl cation hco+  
543 HCS Thioformyl radical hcs  
544 HCS- Thioformyl anion hcs-  
545 HCS+ Thioformyl cation hcs+  
546 HNO Nitrosyl hydride hno  
547 HNO- Nitrosyl hydride anion hno-  
548 HNO+ Nitrosyl hydride cation hno+  
549 NOH Hydroxyimidogen noh  
550 NOH+ O-protonated nitric oxide noh+  
551 HNS Sulfur imide hns  
552 HNS- Sulfur imide anion hns-  
553 HO2 Hydroperoxy radical ho2  
554 HO2- Hydroperoxy anion ho2-  
555 HO2+ Hydroperoxy cation ho2+  
556 HSO+ Sulfur Monoxide, S-protonated HSO+  
557 SOH Sulfur Hydroxide soh  
558 SOH+ Sulfur Monoxide, protonated soh+  
559 HS2 Thiosulfeno radical hs2  
560 H2CO- formaldehyde anion h2co-  
561 H2CO+ formaldehyde cation h2co+  
562 HOCH hydroxycarbene hoch  
563 H2CS Thioformaldehyde h2cs  
564 H2CS- thioformaldehyde anion h2cs-  
565 H2CS+ thioformaldehyde cation h2cs+  
566 H2CSe Selenoformaldehyde h2cse  
567 H2NO nitroxide h2no  
568 H2O2 Hydrogen peroxide h2o2  
569 H2O2+ Hydrogen peroxide cation h2o2+  
570 H2OO water oxide h2oo  
571 HOSH hydrogen thioperoxide hosh  
572 H2S2 Disulfane h2s2  
573 H2S2+ hydrogen disulfide cation h2s2+  
574 H2Se2 hydrogen diselenide h2se2  
575 CH2OH Hydroxymethyl radical ch2oh  
576 CH2OH+ hydroxymethyl cation ch2oh+  
577 CH3O Methoxy radical ch3o  
578 CH3O- methoxy anion ch3o-  
579 CH3O+ Methoxy cation ch3o+  
580 CH3S thiomethoxy ch3s  
581 H2CSH+ Thioformaldehyde, protonated h2csh+  
582 NH2OH hydroxylamine nh2oh  
583 NH2OH+ Hydroxylamine cation nh2oh+  
584 NH3O Ammonia Oxide nh3o  
585 H2POH Phosphinous acid h2poh  
586 H3PO Phosphine oxide h3po  
587 NH2SH Thiohydroxylamine nh2sh  
588 NH3S sulfidoazane nh3s  
589 H3O2+ hydrogen peroxide, protonated h3o2+  
590 CH3OH Methyl alcohol ch3oh  
591 CH3OH- Methyl alcohol anion ch3oh-  
592 CH3OH+ Methyl alcohol cation ch3oh+  
593 CH3SH Methanethiol ch3sh  
594 CH3SH+ Methanethiol cation ch3sh+  
595 SiH3OH silanol sih3oh  
596 CH3SeH Methane selenol ch3seh  
597 NH2OH2+ protonated hydroxylamine nh2oh2+  
598 NH3OH+ N-protonated hydroxylamine nh3oh+  
599 H2OH2O water dimer h2oh2o  
600 CH3OH2+ Methanol, protonated ch3oh2+  
601 CH3SH2+ protonated methylsulfide ch3sh2+  
602 H2ONH3 Water Ammonia Dimer h2onh3  
603 H5O2+ Dihydroxonium ion h5o2+  
604 LiF lithium fluoride lif  
605 LiCl lithium chloride licl  
606 LiCl- lithium chloride anion licl-  
607 LiCl+ lithium chloride cation licl+  
608 NaF sodium fluoride naf  
609 NaF- sodium fluoride anion naf-  
610 NaF+ sodium fluoride cation naf+  
611 KF Potassium Fluoride kf  
612 NaCl Sodium Chloride nacl  
613 NaCl- sodium chloride anion nacl-  
614 NaCl+ sodium chloride cation nacl+  
615 KCl Potassium Chloride kcl  
616 LiBr- lithium bromide anion libr-  
617 LiBr+ lithium bromide cation libr+  
618 NaBr- sodium bromide anion nabr-  
619 NaBr+ sodium bromide cation nabr+  
620 KBr Potassium Bromide kbr  
621 LiI Lithium Iodide lii  
622 NaI Sodium Iodide nai  
623 KI Potassium Iodide ki  
624 LiF- lithium fluoride anion lif-  
625 LiF+ lithium fluoride cation lif+  
626 BeF Beryllium monofluoride bef  
627 BeF- Beryllium monofluoride anion bef-  
628 BeF+ Beryllium monofluoride cation bef+  
629 BeCl beryllium monochloride becl  
630 MgF Magnesium monofluoride mgf  
631 MgF- magnesium fluoride anion mgf-  
632 MgF+ magnesium fluoride cation mgf+  
633 MgCl magnesium monochloride mgcl  
634 MgCl- magnesium monochloride anion mgcl-  
635 MgCl+ magnesium monochloride cation mgcl+  
636 TiCl Titanium Monochloride ticl  
637 ZnF Zinc monofluoride znf  
638 ZnF- Zinc monofluoride anion znf-  
639 ZnF+ Zinc monofluoride cation znf+  
640 ZnCl Zinc monochloride zncl  
641 CaBr Calcium monobromide cabr  
642 BeCl- beryllium monochloride anion becl-  
643 BeCl+ beryllium monochloride cation becl+  
644 BF- Boron monofluoride anion bf-  
645 BF+ Boron monofluoride cation bf+  
646 AlF Aluminum monofluoride alf  
647 AlF- Aluminum monofluoride anion alf-  
648 AlF+ Aluminum monofluoride cation alf+  
649 BCl boron monochloride bcl  
650 BCl- boron monochloride anion bcl-  
651 BCl+ boron monochloride cation bcl+  
652 AlCl Aluminum monochloride alcl  
653 AlCl- aluminum monochloride anion alcl-  
654 AlCl+ aluminum monochloride cation alcl+  
655 ScF Scandium monofluoride scf  
656 BBr Boron monobromide bbr  
657 GaF Gallium monofluoride gaf  
658 GaF+ Gallium monofluoride cation gaf+  
659 AlBr Aluminum monobromide albr  
660 GaCl Gallium monochloride gacl  
661 GaCl+ Gallium monochloride cation gacl+  
662 AlI Aluminum monoiodide ali  
663 GaBr Gallium monobromide gabr  
664 CF Fluoromethylidyne cf  
665 CF- carbon monofluoride anion cf-  
666 CF+ carbon monofluoride cation cf+  
667 CCl carbon monochloride ccl  
668 CCl- carbon monochloride anion ccl-  
669 CCl+ carbon monochloride cation ccl+  
670 SiF silicon monofluoride sif  
671 SiF- silicon monofluoride anion sif-  
672 SiF+ silicon monofluoride cation sif+  
673 SiCl Clorosilylidyne sicl  
674 SiCl- silicon monochloride anion sicl-  
675 SiCl+ silicon monochloride cation sicl+  
676 CBr Carbon monobromide cbr  
677 GeF Germanium monofluoride gef  
678 GeF+ Germanium monofluoride cation gef+  
679 GeCl Germanium monochloride gecl  
680 GeCl+ Germanium monochloride cation gecl+  
681 SiBr Silicon monobromide sibr  
682 SiBr+ Silicon monobromide cation sibr+  
683 NF nitrogen fluoride nf  
684 NF- nitrogen monofluorine anion nf-  
685 NF+ nitrogen monofluoirde cation nf+  
686 NCl nitrogen monochloride ncl  
687 NCl- nitrogen monochloride anion ncl-  
688 NCl+ nitrogen monochloride cation ncl+  
689 PF phosphorus monofluoride pf  
690 PF- phosphorus monofluoride anion pf-  
691 PF+ phosphorus monofluoride cation pf+  
692 PCl phosphorus chloride pcl  
693 PCl- phosphorus monochloride anion pcl-  
694 PCl+ phosphorus monochloride cation pcl+  
695 AsF Arsenic monofluoride asf  
696 NBr nitrogen monobromide nbr  
697 AsCl Arsenic monochloride ascl  
698 PBr Phosphorus monobromide pbr  
699 SbF Antimony monofluoride sbf  
700 SbCl Antimony monochloride sbcl  
701 FO Oxygen monofluoride fo  
702 FO- flourine oxide anion fo-  
703 FO+ fluorine monoxide cation fo+  
704 ClO Monochlorine monoxide clo  
705 ClO- chlorine monoxide anion clo-  
706 ClO+ chlorine monoxide cation clo+  
707 SF Monosulfur monofluoride sf  
708 SF- sulfur monofluoride anion sf-  
709 SF+ sulfur monofluoride cation sf+  
710 SCl sulfur monochloride scl  
711 SCl- sulfur monochloride anion scl-  
712 SCl+ sulfur monochloride cation scl+  
713 BrO Bromine monoxide bro  
714 BrO- Bromine monoxide anion bro-  
715 BrO+ Bromine monoxide cation bro+  
716 SeF Selenium monofluoride sef  
717 SBr Sulfur monobromide radical sbr  
718 SBr+ Sulfur monobromide cation sbr+  
719 SeCl Selenium monochloride secl  
720 IO Iodine monoxide io  
721 SeBr Selenium monobromide sebr  
722 BrCl Bromine monochloride brcl  
723 F2- flourine diatomic anion f2-  
724 F2+ flourine diatomic cation f2+  
725 ClF Chlorine monofluoride clf  
726 ClF- clorine monofluoride anion clf-  
727 ClF+ clorine monofluoride cation clf+  
728 Cl2- chlorine diatomic anion cl2-  
729 Cl2+ chlorine diatomic cation cl2+  
730 BrF Bromine monofluoride brf  
731 BrF- bromine fluoride anion brf-  
732 BrF+ bromine fluoride cation brf+  
733 BrCl- bromine chloride anion brcl-  
734 BrCl+ bromine chloride cation brcl+  
735 IF Iodine monofluoride if  
736 Br2 Bromine diatomic br2  
737 Br2- bromine diatomic anion br2-  
738 Br2+ bromine diatomic cation br2+  
739 ICl Iodine monochloride icl  
740 IBr Iodine monobromide ibr  
741 I2 Iodine diatomic i2  
742 I2+ Iodine diatomic cation i2+  
743 HCF Fluoromethylene hcf  
744 HCCl Chloromethylene hccl  
745 HSiF fluorosilylene hsif  
746 HSiCl Chlorosilylene hsicl  
747 HSiBr monobromosilylene hsibr  
748 CHBr bromomethylene chbr  
749 HOF Hypofluorous acid hfo  
750 DOCl Hypochlorous acid-d docl  
751 HOCl hypochlorous acid hocl  
752 HOCl+ hypochlorous acid cation hocl+  
753 HOBr Hypobromous acid hobr  
754 HOBr+ Hypobromous acid cation hobr+  
755 HOI Hypoiodous acid hoi  
756 F2H+ Fluorine, protonated f2h+  
757 FHF Hydrogen difluoride fhf  
758 FHF- Hydrogen difluoride anion fhf-  
759 ClFH+ Chlorine fluoride, F-protonated clfh+  
760 FClH+ Chlorine fluoride, Cl-protonated fclh+  
761 Cl2H+ Chlorine, protonated cl2h+  
762 CH2Br bromomethyl radical ch2br  
763 CH2F fluoromethyl radical ch2f  
764 CH2F+ fluoromethyl cation ch2f+  
765 CH2Cl+ chloromethyl cation ch2cl+  
766 CH2Cl chloromethyl radical ch2cl  
767 NH2F monofluoroamine nh2f  
768 NH2Cl chloramine nh2cl  
769 H2F2 Hydrogen fluoride dimer h2f2  
770 CH3F+ methyl fluoride cation ch3f+  
771 CD3F methylfluoride-d3 cd3f  
772 CH3F Methyl fluoride ch3f  
773 CD3Cl methyl chloride d3 cd3cl  
774 CH3Cl Methyl chloride ch3cl  
775 CH3Cl+ Methyl chloride cation ch3cl+  
776 SiH3F monofluorosilane sih3f  
777 SiH3Cl chlorosilane sih3cl  
778 CH3Br methyl bromide ch3br  
779 GeH3F monofluorogermane geh3f  
780 GeH3Cl monochlorogermane geh3cl  
781 SiH3Br bromosilane sih3br  
782 CH3I methyl iodide ch3i  
783 SiH3I Silyl Iodide sih3i  
784 NH3Cl+ protonated monochloroammonia nh3cl+  
785 CH3ClH+ methyl chloride, protonated ch3clh+  
786 NH4Cl Ammonium chloride nh4cl  
787 LiNe+ Lithium Neon cation line+  
788 Ne2 Neon diatomic ne2  
789 Ne2+ Neon diatomic cation ne2+  
790 Ar2 Argon diatomic ar2  
791 Ar2+ Argon diatomic cation ar2+  
792 Li3 Lithium trimer li3  
793 Li3+ Lithium trimer cation li3+  
794 C3 carbon trimer c3  
795 C3+ carbon trimer cation c3+  
796 SiC2 Silicon dicarbide sic2  
797 C3H3 cyclopropenyl radical cpr  
798 C3H3 Propargyl radical propargyl  
799 C3H3- Propargyl anion c3h3-  
800 C3H3+ cyclopropenyl cation cpr+  
801 C3H3+ Propargyl cation c3h3+  
802 C3H4 cyclopropene cprop  
803 CH2CCH2 allene allene  
804 CH3CCH propyne propyne  
805 C3H5+ Allyl cation allyl+  
806 CH3CHCH 1-propenyl radical ch3chch  
807 Zn(CH3)2 dimethyl zinc dmz  
808 C3H7 n-Propyl radical npropyl  
809 C3H7+ cyclopropane, protonated c3h7+  
810 CH3CHCH3 Isopropyl radical isopropyl  
811 CH3CHCH3+ Isopropyl cation prop2yl+  
812 C3H8 Propane propane  
813 SiH2(CH3)2 dimethylsilane dms  
814 Si3H8 trisilane si3h8  
815 LiCN lithium cyanide licn  
816 NaCN Sodium Cyanide nacn  
817 KCN Potassium cyanide kcn  
818 CuCN Copper cyanide cucn  
819 ZnCN Zinc monocyanide zncn  
820 ZnNC Zinc isocyanide znnc  
821 AlCN Aluminum monocyanide alcn  
822 AlNC Aluminum isocyanide alnc  
823 CN2 3H-Diazirin-3-ylidene cn2  
824 CNN Diazocarbene cnn  
825 NCN Cyanoimidogen ncn  
826 N3 azide radical n3  
827 N3- azide anion n3-  
828 N3+ azide cation n3+  
829 HCCN cyanomethylene hccn  
830 HCNN diazomethyl radical hcnn  
831 HN3 hydrogen azide hn3  
832 HN3+ Hydrazoic acid cation hn3+  
833 HNCNH diiminomethane hncnh  
834 CH2N2 diazirine ch2n2  
835 CH2NN diazomethane ch2nn  
836 NH2CN cyanamide cyanamide  
837 HNNNH+ 1,2-Triazadienium n2h3+  
838 NH2NN+ hydrazoic acid, protonated nh2nn+  
839 CH3CN Acetonitrile ch3cn  
840 CH3CN- acetonitrile anion ch3cn-  
841 CH3CN+ Acetonitrile cation ch3cn+  
842 CH3NC methyl isocyanide ch3nc  
843 CHNCH2 2H-Azirine c157164  
844 CHNHCH 1H-Azirine chnhch  
845 H2CCNH Ethenimine ch2cnh  
846 H2CNCH methyleneaminomethylene ch2nch  
847 HCCNH2 Ethynamine hccnh2  
848 HCNCH2+ 2H-Azirine cation hcnch2+  
849 HNCNH2+ diiminomethane, protonated hncnh2+  
850 NCNH3+ Cyanamide, protonated ncnh3+  
851 NH2CNH+ cyanamide, cn protonated nh2cnh+  
852 NH3CN+ cyanamide, amine protonated nh3cn+  
853 CH2CHNH vinylazine ch2chnh  
854 CH3CHN methylmethaniminyl radical ch3chn  
855 NHCHNH2 aminomethanimine cn2h4  
856 C2H5N Aziridine c2h5n  
857 CH2CHNH2 aminoethene aminoethene  
858 CH2NCH3 N-methylmethanimine nmm  
859 CH3CHNH ethanimine ethanimine  
860 NH2BHNH2 diaminoborane nh2bhnh2  
861 C2H5NH+ Protonated Aziridine c2h5nh+  
862 C2H6N+ aziridine, protonated c2h6n+  
863 NH2CH2NH2 diaminomethane nh2ch2nh2  
864 CH3CH2NH2 Ethylamine etam  
865 CH3NHCH3 Dimethylamine ch3nhch3  
866 CH3PHCH3 dimethylphosphine ch3phch3  
867 NH2CH2NH3+ diaminoethane, protonated pdam  
868 (CH3)2NH2+ dimethylammonium cation dmam  
869 CH3CH2NH3+ ethylamine, protonated pea  
870 Li2O dilithium oxide li2o  
871 Li2O+ dilithium oxide cation li2o+  
872 Li2S dilithium sulfide li2s  
873 Na2O disodium monoxide na2o  
874 Na2S Sodium sulfide na2s  
875 LiO2 Lithium dioxide lio2  
876 NaO2 Sodium superoxide nao2  
877 CCO Dicarbon monoxide cco  
878 CNO- fulminate cno-  
879 NCO isocyanato radical nco  
880 NCO- cyanate nco-  
881 SCN thiocyanato radical scn  
882 SCN- thiocyanide anion scn-  
883 BO2 Boron dioxide bo2  
884 BO2- Boron dioxide anion bo2-  
885 BO2+ Boron dioxide cation bo2+  
886 N2O Nitrous oxide n2o  
887 N2O- Nitrous oxide anion n2o-  
888 N2O+ Nitrous oxide cation n2o+  
889 NNS Nitrogen sulfide nns  
890 PPO Phosphorus oxide phosphide ppo  
891 CO2- Carbon dioxide anion co2-  
892 CO2+ Carbon dioxide cation co2+  
893 OCS Carbonyl sulfide cos  
894 OCS+ Carbonyl sulfide cation cos+  
895 SiO2 silicon dioxide sio2  
896 CS2 Carbon disulfide cs2  
897 CS2- Carbon disulfide anion cs2-  
898 CS2+ Carbon disulfide cation cs2+  
899 TiO2 Titanium dioxide tio2  
900 SiS2 Silicon disulfide sis2  
901 GeO2 Germanium dioxide geo2  
902 OCSe Carbonyl selenide ocse  
903 SCSe Carbon sulfide selenide scse  
904 GeS2 Germanium disulfide ges2  
905 CSe2 Carbon diselenide cse2  
906 SCTe Carbon sulfide Telluride scte  
907 NO2 Nitrogen dioxide no2  
908 NO2- Nitrogen dioxide anion no2-  
909 NO2+ Nitrogen dioxide cation no2+  
910 NSO sulfinyl amidogen NSO  
911 PO2 Phosphorus dioxide po2  
912 PO2- Phosphorus dioxide anion po2-  
913 PO2+ Phosphorus dioxide cation po2+  
914 SNO Nitrogen oxide sulfide sno  
915 AsO2 Aresenic dioxide aso2  
916 O3 Ozone o3  
917 O3- Ozone anion o3-  
918 O3+ Ozone cation o3+  
919 SO2- Sulfur dioxide anion so2-  
920 SO2+ Sulfur dioxide cation so2+  
921 SSO Disulfur monoxide sso  
922 S3 Sulfur trimer s3  
923 S3- Sulfur trimer anion s3-  
924 S3+ Sulfur trimer cation s3+  
925 SeO2 Selenium dioxide seo2  
926 SeO2+ Selenium dioxide cation seo2+  
927 TeO2 Tellurium Dioxide teo2  
928 HCCO ketenyl radical ketenyl  
929 CS2H+ Carbon disulfide, protonated cs2h+  
930 HCNO fulminic acid hcno  
931 HNCO Isocyanic acid hnco  
932 HOCN cyanic acid hocn  
933 HNCS Isothiocyanic acid hncs  
934 HSCN thiocyanic acid hscn  
935 HCO2- formate anion hco2-  
936 HNNO nitrosoazane hnno  
937 HNNO+ Nitrous oxide, N-protonated hnno+  
938 NNOH+ Nitrous Oxide, O-protonated nnoh+  
939 HCOO formate neutral radical hcoo  
940 HOCO Hydrocarboxyl radical hoco  
941 HOCO+ Hydrocarboxyl cation hoco+  
942 HNO2 Nitrous acid hno2  
943 HNO2+ nitrous acid cation hno2+  
944 O3H+ protonated ozone o3h+  
945 SO2H+ protonated sulfur dioxide so2h+  
946 C2H2O Oxirene oxirene  
947 CH2CO Ketene ch2co  
948 CH2CO+ Ketene cation ch2co+  
949 HCCOH ethynol hccoh  
950 CH2CS Thioketene ch2cs  
951 Be(OH)2 Beryllium hydroxide beo2h2  
952 Mg(OH)2 Magnesium dihydroxide h2mgo2  
953 NH2NO Nitrosamide nh2no  
954 CH2O2 Dioxirane diox  
955 H2COO Dioxymethyl radical h2coo  
956 H2COO+ dioxymethyl cation h2coo+  
957 HCOOH Formic acid ch2o2  
958 H2O3 Hydrogen trioxide h2o3  
959 HSSSH trisulfane hsssh  
960 NaOCH3 Sodium methoxide naoch3  
961 CH2BOH hydroxy(methylene)borane ch2boh  
962 BH3CO Borane carbonyl bh3co  
963 CH3BO Borane, methyloxo- ch3bo  
964 CH2CHO Vinyloxy radical ch2cho  
965 CH2COH+ ketene, protonated ch2coh+  
966 CH3CO- Acetyl anion ch3co-  
967 CH3CO+ acetyl cation ch3co+  
968 CH2NOH formaldoxime ch2noh  
969 CH3NO nitrosomethane ch3no  
970 CHONH2 formamide formamide  
971 CNOH3 1,2-oxaziridine cnoh3  
972 HOCHNH hydroxymethylimine hochnh  
973 CHSNH2 thioformamide chsnh2  
974 NHCHSH Methanimidothioic acid nhchsh  
975 CH2OOH CH2OOH radical ch2ooh  
976 CH3OO methylperoxy radical ch3oo  
977 CH3OO- methylperoxy anion ch3oo-  
978 CH3OO+ methylperoxy cation ch3oo+  
979 C2H4O Ethylene oxide c2h4o  
980 C2H4O+ ethylene oxide cation c2h4o+  
981 CH2CHOH ethenol ch2choh  
982 CH3CHO Acetaldehyde ch3cho  
983 CH3CHO+ acetaldehyde cation ch3cho+  
984 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
985 C2H4S Thiirane thiirane  
986 CH2CHSH Ethenethiol ch2chsh  
987 CH3CHS Thioacetaldehyde ch3chs  
988 H2CONH2+ protonated formamide h2conh2+  
989 NH2CHOH+ Formamide, O-protonated nh2choh+  
990 NH3CHO+ Formamide, N-Protonated nh3cho+  
991 CH2(OH)2 methanediol ch2o2h2  
992 CH3OOH Methyl peroxide ch3ooh  
993 CH3SSH Hydrogen methyl disulfide ch3ssh  
994 HSCH2SH Methanedithiol ch4s2  
995 H2OH2CO water formaldehyde dimer h2oh2co  
996 C2H4OH+ ethylene oxide, protonated c2h4oh+  
997 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
998 CH3CH2O Ethoxy radical ethoxy  
999 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1000 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1001 CH3OCH2 methoxymethyl radical ch3och2  
1002 NH2CH2OH aminomethanol nh2ch2oh  
1003 CH3CH2OH Ethanol etoh  
1004 CH3OCH3 Dimethyl ether meome  
1005 CH3CH2SH ethanethiol etsh  
1006 CH3SCH3 Dimethyl sulfide mesme  
1007 CH3SCH3+ dimethyl sulfide cation mesme+  
1008 CH3SeCH3 dimethylselenide dmse  
1009 CH3OHH2O methanol water dimer ch3ohh2o  
1010 H2OCH3OH water methanol dimer h2och3oh  
1011 CuF2 Copper difluoride cuf2  
1012 ZnF2 Zinc difluoride znf2  
1013 CNF iso cyanogen fluoride cnf  
1014 FCN Cyanogen fluoride fcn  
1015 ClCN chlorocyanogen clcn  
1016 BrCN Cyanogen bromide brcn  
1017 ICN Cyanogen iodide icn  
1018 FBO Boron monofluoride monoxide fbo  
1019 BeF2 Beryllium fluoride bef2  
1020 MgF2 Magnesium fluoride mgf2  
1021 BeCl2 Beryllium chloride becl2  
1022 MgCl2 Magnesium dichloride mgcl2  
1023 CaCl2 Calcium Chloride cacl2  
1024 ZnCl2 Zinc dichloride zncl2  
1025 BeBr2 Beryllium bromide bebr2  
1026 CaBr2 Calcium dibromide cabr2  
1027 FCO Carbonyl fluoride fco  
1028 FCO+ Carbonyl fluoride cation fco+  
1029 ClCO carbonyl monochloride clco  
1030 BF2 Boron difluoride radical bf2  
1031 FNO Nitrosyl fluoride fno  
1032 ClNO Nitrosyl chloride clno  
1033 FNS Thionitrosyl fluoride fns  
1034 FSN Thiazyl fluoride fsn  
1035 OPCl Phosphorus oxychloride opcl  
1036 BrNO Nitrosyl bromide brno  
1037 INO Nitrosyl iodide ino  
1038 CF2 Difluoromethylene cf2  
1039 CF2- Difluoromethylene anion cf2-  
1040 CF2+ Difluoromethylene cation cf2+  
1041 CFCl chlorofluoromethylene cfcl  
1042 SiF2 Silicon difluoride sif2  
1043 SiF2+ Silicon difluoride cation sif2+  
1044 CCl2 dichloromethylene ccl2  
1045 CCl2- dichloromethylene anion ccl2-  
1046 CCl2+ dichloromethylene cation ccl2+  
1047 SiCl2 Dichlorosilylene sicl2  
1048 GeF2 Germanium difluoride gef2  
1049 GeCl2 Germanium dichloride gecl2  
1050 CBr2 dibromomethylene cbr2  
1051 FOO Dioxygen monofluoride radical foo  
1052 FOO+ Fluorine dioxide cation foo+  
1053 ClOO chloroperoxy radical cloo  
1054 ClOO+ chloroperoxy cation cloo+  
1055 OClO Chlorine dioxide oclo  
1056 OClO- Chlorine dioxide anion oclo-  
1057 OClO+ Chlorine dioxide cation oclo+  
1058 ClSO Sulfur chloride oxide clso  
1059 ClS2 Sulfur chloride cls2  
1060 BrOO Bromine dioxide broo  
1061 OBrO Bromine dioxide radical obro  
1062 NF2 Difluoroamino radical nf2  
1063 NF2+ Difluoroamino cation nf2+  
1064 PF2 Phosphorus difluoride pf2  
1065 PF2+ Phosphorus difluoride cation pf2+  
1066 FClO chlorosyl fluoride fclo  
1067 F2O Difluorine monoxide f2o  
1068 ClOF Chlorine hypofluorite clof  
1069 SF2 sulfur difluoride sf2  
1070 SF2- sulfur difluoride anion sf2-  
1071 SF2+ sulfur difluoride cation sf2+  
1072 Cl2O Dichlorine monoxide cl2o  
1073 SCl2 Sulfur dichloride scl2  
1074 SeF2 Selenium difluoride sef2  
1075 BrOCl Bromine hypochlorite brocl  
1076 SeCl2 Selenium Dichloride secl2  
1077 SBr2 Sulfur dibromide sbr2  
1078 SeBr2 Selenium dibromide sebr2  
1079 BrOBr Bromine oxide brobr  
1080 F3- trifluoride anion f3-  
1081 Cl3- trichloride anion cl3-  
1082 Br3- tribromide anion br3-  
1083 I3- triiodide i3-  
1084 SFCl Sulfur chloride fluoride sfcl  
1085 HCCF Fluoroacetylene hccf  
1086 HCCF+ fluoroacetylene cation hccf+  
1087 HCCCl Chloroacetylene hcccl  
1088 HCCBr bromoacetylene hccbr  
1089 HFCO formyl fluoride hfco  
1090 HFCO+ formyl fluoride cation hfco+  
1091 COHCl Formyl chloride cohcl  
1092 COHBr Formyl bromide cohbr  
1093 BHF2 Difluoroborane bhf2  
1094 BHCl2 Borane, dichloro- bhcl2  
1095 CHCl2 dichloromethyl radical chcl2  
1096 CHF2 difluoromethyl radical chf2  
1097 CHF2+ difluoromethyl cation chf2+  
1098 CHFCl Chlorofluoromethyl radical chfcl  
1099 CHFCl+ Chlorofluoromethyl cation chfcl+  
1100 CHCl2+ dichloromethyl cation chcl2+  
1101 CHBr2 dibromomethyl radical chbr2  
1102 HOClO Chlorous acid hoclo  
1103 NHF2 difluoramine nhf2  
1104 NHCl2 dichloroamine nhcl2  
1105 CH2F2 Methane, difluoro- ch2f2  
1106 CH2FCl fluorochloromethane ch2fcl  
1107 SiH2F2 difluorosilane sih2f2  
1108 CH2Cl2 Methylene chloride ch2cl2  
1109 CH2BrF Methane, bromofluoro- ch2fbr  
1110 CH2BrCl Methane, bromochloro- ch2clbr  
1111 CH2FI fluoroiodomethane ch2fi  
1112 CH2Br2 dibromomethane ch2br2  
1113 CH2ClI chloroiodomethane ch2cli  
1114 CH2BrI bromoiodomethane ch2bri  
1115 CH2I2 Diiodomethane ch2i2  
1116 SiH2Cl2 dichlorosilane sih2cl2  
1117 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1118 CH2CHF Ethene, fluoro- ch2chf  
1119 CH2CHF+ fluoroethene cation ch2chf+  
1120 C2H3Cl Ethene, chloro- ch2chcl  
1121 C2H3Br vinyl bromide c2h3br  
1122 C2H3I Vinyl iodide c2h3i  
1123 CH2FOH fluoromethanol ch2foh  
1124 CH3OCl methyl hypochlorite ch3ocl  
1125 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1126 CHClCH3 1-chloroethyl radical chclch3  
1127 C2H5F fluoroethane c2h5f  
1128 CH3CH2Cl Ethyl chloride c2h5cl  
1129 CH3SiFH2 fluoromethylsilane ch3sifh2  
1130 C2H5Br Ethyl bromide etbr  
1131 C2H5I Ethyl iodide c2h5i  
1132 KrF2 Krypton difluoride krf2  
1133 XeF2 Xenon difluoride xef2  
1134 B4H10 Tetraborane(10) b4h10  
1135 C4 Carbon tetramer c4  
1136 C4+ Carbon tetramer cation c4+  
1137 C4H2 Diacetylene c4h2  
1138 C4H2+ diacetlyene cation c4h2+  
1139 C2H3CCH 1-Buten-3-yne c2h3cch  
1140 C4H4 cyclobutadiene cbd  
1141 C4H4 Tetrahedrane c4h4  
1142 H2CCCCH2 Butatriene h2cccch2  
1143 C4H6 1-Methylcyclopropene c3100047  
1144 C4H6 Cyclobutene c822355  
1145 C4H6 Methylenecyclopropane c6142730  
1146 CH2CCHCH3 1,2-Butadiene butad12  
1147 CH2CHCHCH2 1,3-Butadiene c106990  
1148 CH3CCCH3 2-Butyne c503173  
1149 CHCCH2CH3 1-Butyne c107006  
1150 CH3CHCHCH2 methylallyl radical c4h7  
1151 C4H8 methylcyclopropane mcp  
1152 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1153 CH2CHCH2CH3 1-Butene bute1  
1154 CH3CHCHCH3 2-Butene, (E)- bute2e  
1155 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1156 B(CH3)3 trimethylborane bme3  
1157 Al(CH3)3 trimethyl aluminum tma  
1158 C(CH3)3 Tert-butyl radical tbutyl  
1159 CH2CH(CH3)2 Isobutyl radical isobutyl  
1160 CH3CHCH2CH3 2-Butyl radical butyl2  
1161 CH3CH(CH3)CH3 Isobutane isobutane  
1162 CH3CH2CH2CH3 Butane butane  
1163 SiH(CH3)3 trimethylsilane trimsi  
1164 Li3N trilithium nitride li3n  
1165 C2N2 Cyanogen c2n2  
1166 C2N2+ Cyanogen cation c2n2+  
1167 P4 Phosphorus tetramer p4  
1168 As4 Arsenic tetramer as4  
1169 HCCCN Cyanoacetylene hcccn  
1170 HCCCN+ Cyanoacetylene cation hcccn+  
1171 H2CNCN cyanamide, methylene ch2ncn  
1172 HNCCNH Ethenediimine hnccnh  
1173 C3H3N acrylonitrile ch2chcn  
1174 C3H3N+ acrylonitrile cation ch2chcn+  
1175 CH3N3 methyl azide ch3n3  
1176 NH2CCNH2 Diaminoacetylene daa  
1177 NH2CH2CN Aminoacetonitrile aan  
1178 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1179 C2H5CN ethyl cyanide c2h5cn  
1180 CH5N3 Guanidine guanidine  
1181 C4H6 Bicyclo[1.1.0]butane c157335  
1182 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1183 H2NCHCHNH2 diaminoethylene dae  
1184 CH6N3+ guanidinium ch6n3+  
1185 C3H7N Cyclopropylamine cpram  
1186 CH7N3 triaminomethane tam  
1187 C3H7N Azetidine azet  
1188 C4H8 cyclobutane cbutane  
1189 C2H8N2 Ethylenediamine ethdiam  
1190 CH3NHNHCH3 dimethyl hydrazine dmh  
1191 CH3CH(NH2)CH3 2-Propanamine pram2  
1192 N(CH3)3 Trimethylamine trimeam  
1193 NH2CH2CH2CH3 1-Propanamine pram1  
1194 P(CH3)3 trimethylphosphine tmp  
1195 N(SiH3)3 trisilylamine tsa  
1196 As(CH3)3 trimethyl arsine tmas  
1197 (CH3)3NH+ protonated trimethyl amine ptma  
1198 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1199 Li2O2 dilithium dioxide li2o2  
1200 Na2O2 disodium dioxide na2o2  
1201 K2O2 dipotassium dioxide k2o2  
1202 C3O Tricarbon monoxide c3o  
1203 B2O2 Diboron dioxide b2o2  
1204 ONNO NO dimer onno  
1205 S2N2 Disulfur dinitride s2n2  
1206 CO3 Carbon trioxide co3  
1207 CO3-- carbonate co3--  
1208 CS3-- Carbonotrithioate cs3--  
1209 NO3 Nitrogen trioxide no3  
1210 NO3- nitrate anion no3-  
1211 NO3+ nitrogen trioxide cation no3+  
1212 SO3 Sulfur trioxide so3  
1213 SO3- Sulfur trioxide anion so3-  
1214 SO3-- Sulfate dianion so3--  
1215 SO3+ Sulfur trioxide cation so3+  
1216 SeO3 selenium trioxide seo3  
1217 S4 Sulfur tetramer s4  
1218 TeO3 Tellurium trioxide teo3  
1219 HCO3- bicarbonate anion hco3-  
1220 HNO3 Nitric acid hno3  
1221 HSO3 Hydroxysulfonyl radical hso3  
1222 NH2NO2 nitramide nh2no2  
1223 C2H2CO cyclopropenone c2h2co  
1224 C3H2O Propadienal c3h2o  
1225 HCCCHO 2-propynal hcccho  
1226 C2H2O2 Ethanedial c2h2o2  
1227 C2H2O2+ Ethanedial cation c2h2o2+  
1228 H2CO3 Carbonic acid h2co3  
1229 H2CS3 thiocarbonic acid h2cs3  
1230 H2NO3+ Nitric Acid, Protonated h2no3+  
1231 H2SO3 Sulfurous acid h2so3  
1232 C2H3NO Nitrosoethylene c2h3no  
1233 CH3NCO methylisocyante ch3nco  
1234 HOCH2CN cyanomethanol hoch2cn  
1235 CH3COO- acetate anion ch3coo-  
1236 CH3NO2 Methane, nitro- ch3no2  
1237 CH3ONO Methyl nitrite ch3ono  
1238 NH2COOH Carbamic acid nh2cooh  
1239 H3BO3 Boric acid h3bo3  
1240 H3AlO3 Aluminum hydroxide h3alo3  
1241 H3CO3+ carbonic acid, protonated h3co3+  
1242 C3H4O 2-Propyn-1-ol c107197  
1243 C3H4O allenol c9000071  
1244 C3H4O Cyclopropanone cpone  
1245 C3H4O Methylketene c6004440  
1246 CH2CHCHO Acrolein c3h4o  
1247 NH2CONH2 Urea urea  
1248 NH2CONH2+ Urea cation urea+  
1249 NH2CSNH2 Thiourea thiourea  
1250 C2H4O2 1,3-dioxetane c2h4o2  
1251 CH3COOH Acetic acid ch3cooh  
1252 CH3OCHO methyl formate ch3ocho  
1253 CHOCH2OH hydroxy acetaldehyde haa  
1254 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1255 NH3COOH+ protonated Carbamic acid nh3cooh+  
1256 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1257 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1258 HCOOHH2O Formic acid water dimer hcoohh2o  
1259 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1260 CH3COCH2 Acetonyl radical ch3coch2  
1261 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1262 CH3C(OH)=NH Ethaninidic acid eia  
1263 CH3CHNOH Acetaldoxime acetaldoxime  
1264 CH3CONH2 Acetamide acetamide  
1265 HCONHCH3 N-methylformamide nmfa  
1266 CH3CSNH2 Ethanethioamide ch3csnh2  
1267 CH5N2O+ urea, N-protonated ch4n2o+  
1268 H2NCOHNH2+ urea, protonated ureah+  
1269 C2H5OO ethylperoxy radical c2h5oo  
1270 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1271 C3H5OH Cyclopropanol cproh  
1272 C3H6O 2-Propen-1-ol c107186  
1273 C3H6O Acetone enol enol  
1274 C3H6O Oxetane oxetane  
1275 C3H6O Propylene oxide prox  
1276 CH3CH2CHO Propanal propanal  
1277 CH3COCH3 Acetone acetone  
1278 CH3COCH3- acetone anion ch3coch3-  
1279 C3H6S Thietane thietane  
1280 C3H6S Thiirane, methyl- methiirane  
1281 CH3CSCH3 Thioacetone ch3csch3  
1282 C2H6O2 1,2-Ethanediol ethdiol  
1283 CH3OOCH3 dimethylperoxide dmp  
1284 CH3SOCH3 Dimethyl sulfoxide dmso  
1285 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1286 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1287 CH3COHCH3+ acetone, protonated acetoneh+  
1288 HOCH2CH2NH2 monoethanolamine mea  
1289 C3H7OH 1-Propanol proh  
1290 CH3CHOHCH3 Isopropyl alcohol isoproh  
1291 CH3OC2H5 Ethane, methoxy- etome  
1292 C3H7SH 1-Propanethiol prsh  
1293 CH3CHSHCH3 2-Propanethiol isoprsh  
1294 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1295 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1296 Li2F2 Lithium fluoride dimer li2f2  
1297 Na2F2 Sodium Fluoride Dimer na2f2  
1298 Na2Cl2 Disodium dichloride na2cl2  
1299 C2F2 difluoroacetylene c2f2  
1300 C2Cl2 dichloroacetylene c2cl2  
1301 C2Cl2+ dichloroacetylene cation c2cl2+  
1302 FNO2 Nitryl fluoride fno2  
1303 FONO Nitrosyl hypofluorite fono  
1304 ClNO2 Nitryl chloride clno2  
1305 ClONO chlorine nitrite clono  
1306 BrONO Bromine nitrite brono  
1307 N2F2 (Z)-Difluorodiazene n2f2_z  
1308 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1309 CF2O Carbonic difluoride f2co  
1310 CF2O+ Carbonic difluoride cation f2co+  
1311 COFCl Carbonic chloride fluoride cofcl  
1312 CCl2O Phosgene cl2co  
1313 Cl2CS Thiophosgene cl2cs  
1314 COBr2 Carbonic dibromide cobr2  
1315 BF3- Borane, trifluoro- anion bf3-  
1316 BF3+ boron trifluoride cation bf3+  
1317 BClF2 Chlorodifluoroborane bclf2  
1318 AlF2Cl Aluminum chloride difluoride alclf2  
1319 ScF3 Scandium trifluoride ScF3  
1320 AlFCl2 Aluminum dichloride fluoride alcl2f  
1321 BCl3 Borane, trichloro- bcl3  
1322 BCl3+ Boron Trichloride cation bcl3+  
1323 GaF3 Gallium trifluoride gaf3  
1324 AlCl3 Aluminum trichloride alcl3  
1325 GaCl3 Gallium trichloride gacl3  
1326 BBr3 Boron tribromide bbr3  
1327 AlBr3 Aluminum Bromide albr3  
1328 ClO3 Chlorine trioxide clo3  
1329 ClO3- chlorate anion clo3-  
1330 BrO3- Bromate anion bro3-  
1331 CF3 Trifluoromethyl radical cf3  
1332 CF3- Trifluoromethyl anion cf3-  
1333 CF3+ Trifluoromethyl cation cf3+  
1334 CF2Cl difluorochloromethyl radical cf2cl  
1335 SiF3 Silicon trifluoride radical sif3  
1336 SiF3+ Silicon trifluoride cation sif3+  
1337 CFCl2 dichlorofluoromethyl radical cfcl2  
1338 CCl3 Trichloromethyl radical ccl3  
1339 CCl3- Trichloromethyl anion ccl3-  
1340 CCl3+ Trichloromethyl cation ccl3+  
1341 SiCl3 trichlorosilyl radical sicl3  
1342 SiCl3+ trichlorosilyl cation sicl3+  
1343 CBr3 tribromomethyl radical cbr3  
1344 FOOF Perfluoroperoxide foof  
1345 ClO2F Chloryl fluoride clo2f  
1346 F2SO Thionyl Fluoride f2so  
1347 ClOOCl Dichlorine dioxide cloocl  
1348 FSSF Difluorodisulfane fssf  
1349 S2F2 Thio-thionyl fluoride s2f2  
1350 SOCl2 thionyl chloride socl2  
1351 SSCl2 Thiothionyl chloride sscl2  
1352 SeOCl2 selenium oxychloride seocl2  
1353 NF3 Nitrogen trifluoride nf3  
1354 NF3- Nitrogen trifluoride anion nf3-  
1355 NF3+ Nitrogen trifluoride cation nf3+  
1356 PF3 Phosphorus trifluoride pf3  
1357 NCl3 nitrogen trichloride ncl3  
1358 AsF3 Arsenic trifluoride asf3  
1359 PCl3 Phosphorus trichloride pcl3  
1360 SbF3 Antimony Trifluoride sbf3  
1361 AsCl3 Arsenous trichloride ascl3  
1362 SbCl3 Antimony Trichloride sbcl3  
1363 NBr3 Nitrogen Tribromide nbr3  
1364 PBr3 Phosphorus tribromide pbr3  
1365 AsBr3 Arsenic tribromide asbr3  
1366 NI3 Nitrogen triiodide ni3  
1367 PI3 Phosphorus triiodide pi3  
1368 ClSSCl Disulfur dichloride s2cl2  
1369 SF3 Sulfur trifluoride sf3  
1370 ClF3 Chlorine trifluoride clf3  
1371 BrF3 Bromine trifluoride brf3  
1372 IF3 iodone trifluoride if3  
1373 HClO3 Chloric Acid hclo3  
1374 CHF3 Methane, trifluoro- chf3  
1375 CHF2Cl difluorochloromethane chf2cl  
1376 SiHF3 trifluorosilane sihf3  
1377 CHFCl2 fluorodichloromethane chfcl2  
1378 CDCl3 trichloromethane-d cdcl3  
1379 CHCl3 Chloroform chcl3  
1380 CHBrF2 Methane, bromodifluoro- chbrf2  
1381 SiHCl3 Trichlorosilane sihcl3  
1382 CHFClBr fluorochlorobromomethane chfclbr  
1383 CHBrCl2 Methane, bromodichloro- chbrcl2  
1384 CHF2I difluoroiodomethane chf2i  
1385 CHBr2F dibromofluoromethane chbr2f  
1386 CHFClI fluorochloroiodomethane chfcli  
1387 CHCl2I dichloroiodomethane chcl2i  
1388 CHClBr2 Methane, dibromochloro- chclbr2  
1389 CHBr3 bromoform chbr3  
1390 CHI3 Iodoform chi3  
1391 NF3H+ protonated nitrogen trifluoride nf3h+  
1392 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1393 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1394 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1395 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1396 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1397 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1398 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1399 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1400 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1401 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1402 C2H2Br2 1,1-dibromoethene c2h2br2  
1403 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1404 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1405 CH2FCHO Fluoroacetaldehyde ch2fcho  
1406 CH3COF Acetyl fluoride ch3cof  
1407 CH2ClCHO chloroacetaldehyde ch2clcho  
1408 CH3COCl Acetyl Chloride ch3cocl  
1409 C2H4F2 1,2-difluoroethane c2h4f2  
1410 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1411 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1412 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1413 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1414 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1415 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1416 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1417 CH2CFCH3 2-fluoropropene 2fpro  
1418 CH2CHCH2F Allyl Fluoride allylf  
1419 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1420 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1421 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1422 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1423 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1424 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1425 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1426 CH2FCH2CH3 1-Fluoropropane prf1  
1427 CH3CHFCH3 2-Fluoropropane prf2  
1428 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1429 CH3CHClCH3 Propane, 2-chloro- prcl2  
1430 CH3CH2CH2Br n-propyl bromide prbr  
1431 CH3CHBrCH3 i-propyl bromide iprbr  
1432 C3H9O+ trimethyl oxonium cation c3h9o+  
1433 B5H9 pentaborane9 b5h9  
1434 C5H4 pentatetraene ptrene  
1435 C5H5 cyclopentadienyl radical c5h5  
1436 C5H5- cylopentadienyl anion c5h5-  
1437 C5H6 1,3-Cyclopentadiene c542927  
1438 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1439 C5H6 3-Penten-1-yne, (E)- c2004695  
1440 C5H6 3-Penten-1-yne, (Z)- c1574409  
1441 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1442 C5H6 Cyclopropylacetylene c6746947  
1443 C5H6 Propellane propellane  
1444 C5H7 1,3-pentadienyl radical pdyl  
1445 C5H7 cyclopentenyl radical cpyl  
1446 C5H8 1,2-Butadiene, 3-methyl- c598254  
1447 C5H8 1,2-Pentadiene c591957  
1448 C5H8 1,3-Butadiene, 2-methyl- c78795  
1449 C5H8 1,3-Pentadiene, (E)- c2004708  
1450 C5H8 1,3-Pentadiene, (Z)- c1574410  
1451 C5H8 1,4-Pentadiene c591935  
1452 C5H8 1-pentyne a1pentyne  
1453 C5H8 2,3-Pentadiene c591968  
1454 C5H8 Bicyclo[1.1.1]pentane bcp  
1455 C5H8 Cyclobutane, methylene- c1120565  
1456 C5H8 Cyclopentene c142290  
1457 C5H8 Ethenylcyclopropane c693867  
1458 CH3CCCH2CH3 2-Pentyne 2pentyne  
1459 C5H10 1-Butene, 2-methyl- c563462  
1460 C5H10 2-Butene, 2-methyl- c513359  
1461 C5H10 2-Pentene, (E)- c646048  
1462 C5H10 2-Pentene, (Z)- c627203  
1463 C5H10 Cyclopentane c287923  
1464 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1465 CH2CHCH2CH2CH3 1-pentene pentene  
1466 C5H11 2-Methylbut-2-yl radical c4348350  
1467 C5H12 Butane, 2-methyl- buta2  
1468 C5H12 Pentane pentane  
1469 C5H12 Propane, 2,2-dimethyl- neopentane  
1470 Si(CH3)4 tetramethylsilane tms  
1471 N2O3 Dinitrogen trioxide n2o3  
1472 C3H2N2 Malononitrile c3h2n2  
1473 CH2N4 1H-Tetrazole 1htz  
1474 C3H3N2 imidazolyl radical im  
1475 C3H3N2- imidizolyl anion im-  
1476 C2H3N3 1H-1,2,4-Triazole c288880  
1477 C4H4N pyrrolide radical c4h4n  
1478 C4H4N- pyrrolide anion c4h4n-  
1479 C3H4N2 1H-Imidazole 1himidaz  
1480 C3H4N2 1H-Pyrazole 1hpyraz  
1481 C3H4N2 2H-Imidazole imid2h  
1482 C3H4N2 4H-Imidazole imid4h  
1483 C4H5N (E)-2-Butenenitrile c627269  
1484 C4H5N (Z)-2-Butenenitrile c1190767  
1485 C4H5N 2H-pyrrole pyrrole2  
1486 C4H5N 3H-pyrrole pyrrole3  
1487 C4H5N Cyclopropanecarbonitrile c5500210  
1488 C4H5N Pyrrole pyrrole  
1489 CH2CHCH2CN Allylcyanide ch2chch2cn  
1490 C4H6N+ pyrrole, alpha-protonated appyr  
1491 C4H6N+ pyrrole, beta-protonated bppyr  
1492 C4H6N+ pyrrole, protonated ppyr  
1493 C3H6N2 3-Aminopropionitrile c151188  
1494 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1495 CH3CH2CH2CN Butanenitrile c109740  
1496 C5H8 Bicyclo[2.1.0]pentane c185944  
1497 C5H8 Spiropentane c157404  
1498 C4H9N Cyclobutylamine cbam  
1499 C4H9N Pyrrolidine pyrrolidine  
1500 C3H10N2 1,2-Diaminopropane diampr12  
1501 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1502 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1503 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1504 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1505 NH(C2H5)2 diethylamine dea  
1506 NC4H12+ tetramethyl ammonium cation nc4h12+  
1507 C3O2 Carbon suboxide c3o2  
1508 C3O2+ Carbon suboxide cation c3o2+  
1509 B2O3 diboron trioxide b2o3  
1510 MgCO3 Magnesium Carbonate mgco3  
1511 BeCO3 Beryllium Carbonate beco3  
1512 ONONO Nitrosyl nitrite onono  
1513 PO4--- phosphate po4---  
1514 SO4-- sulfate so4--  
1515 HOONO2 peroxy nitric acid hoono2  
1516 HSO4- bisulfate anion hso4-  
1517 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1518 C3H2O2 Propiolic acid c3h2o2  
1519 CHOCOOH oxo acetic acid oaa  
1520 CHOOCHO diformyl ether choocho  
1521 H2SO4 Sulfuric acid h2so4  
1522 H2SeO4 Selenic acid h2seo4  
1523 C3H3NO Isoxazole isox  
1524 C3H3NO Oxazole oxazole  
1525 C3H3NS Thiazole thiazole  
1526 CH3C(O)OO acetyl peroxy radical ch3coo2  
1527 CH3NO3 Methyl nitrate ch3no3  
1528 H3PO4 Phosphoric Acid h3po4  
1529 C4H4O Furan furan  
1530 C4H4O+ Furan cation furan+  
1531 CH3COCCH 3-butyn-2-one c1423605  
1532 C4H4S Thiophene furans  
1533 C4H4Se selenophene c4h4se  
1534 C3H4O2 β–Propiolactone beta  
1535 C3H4O2 2-Propenoic acid propenoic2  
1536 C3H4O2 Methyl glyoxal megly  
1537 C3H4O2 propanedial propanedial  
1538 C3H4O2 propenalol propenalol  
1539 HOCHCCHOH allenediol aldiol  
1540 C2H4O3 1,2,3-trioxolane c2h4o3  
1541 C2H4O3 trioxolane124 triox  
1542 HOCH2COOH Hydroxyacetic acid hac  
1543 CH2CHCONH2 Acrylamide c79061  
1544 CH3OCH2CN Methoxyacetonitrile c1738369  
1545 CH5N3S Hydrazinecarbothioamide c79196  
1546 H2NCH2COOH Glycine glycine  
1547 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1548 C4H6O cis-2-butenal butenal2c  
1549 C4H6O Cyclobutanone cbutone  
1550 C4H6O Furan, 2,3-dihydro- furan23h  
1551 C4H6O Furan, 2,5-dihydro- furan25h  
1552 CH2CHOCHCH2 Vinyl ether vinylether  
1553 CHOCHCHCH3 2-Butenal butenal2  
1554 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1555 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1556 CH2CHSCHCH2 Divinyl sulfide divis  
1557 C2H6N2O Urea, methyl- c598505  
1558 C3H6O2 1,3-Dioxolane dioxolane  
1559 CH3CH2COOH Propanoic Acid propanoic  
1560 CH3COOCH3 methyl acetate aame  
1561 HCOOC2H5 Ethyl formate faee  
1562 C2H6O2S Dimethyl sulfone c67710  
1563 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1564 C3H7NO dimethylformamide dmf  
1565 C3H7NO Propanamide propanam  
1566 C2H3OC2H5 Ethene, ethoxy- c109922  
1567 C4H8O Cyclobutanol c2919235  
1568 C4H8O Furan, tetrahydro- thf  
1569 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1570 CH3COCH2CH3 2-Butanone buta2one  
1571 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1572 CHOCH2CH2CH3 Butanal butanal  
1573 C4H8S Thiophene, tetrahydro- tht  
1574 C3H8O2 1,3-Propanediol c504632  
1575 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1576 C3H8O2 Methane, dimethoxy- c109875  
1577 C3H8O2 Propylene glycol c57556  
1578 C3H8S2 1,3-Propanedithiol c109808  
1579 C4H10O 1-Butanol butanol1  
1580 C4H10O 1-Propanol, 2-methyl- c78831  
1581 C4H10O 2-Butanol, (.+/-.)- butanol2  
1582 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1583 C4H10O Ethoxy ethane etoet  
1584 C4H10O Methyl propyl ether meopr  
1585 C4H10O Propane, 2-methoxy- c598538  
1586 C4H10O+ 1-Butanol cation butanol1+  
1587 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1588 C2H5SC2H5 Diethyl sulfide etset  
1589 C4H9SH 1-Butanethiol bush  
1590 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1591 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1592 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1593 FNO3 Fluorine nitrate fno3  
1594 ClONO2 Chlorine nitrate clono2  
1595 BrONO2 Bromine nitrate brono2  
1596 TiCl4 Titanium tetrachloride ticl4  
1597 ClO4- perchlorate anion clo4-  
1598 BF4- tetrafluoroboron anion bf4-  
1599 ClFO3 Perchloryl fluoride clfo3  
1600 SO2F2 Sulfuryl fluoride so2f2  
1601 SO2Cl2 Sulfuryl chloride so2cl2  
1602 F3NO Nitrogen trifluoride oxide f3no  
1603 F3PO Phosphoryl fluoride pf3o  
1604 Cl3PO Phosphoryl chloride pcl3o  
1605 CF4 Carbon tetrafluoride cf4  
1606 CF3Cl Methane, chlorotrifluoro- cf3cl  
1607 SiF4 Silicon tetrafluoride sif4  
1608 CF2Cl2 difluorodichloromethane cf2cl2  
1609 TiF4 Titanium tetrafluoride tif4  
1610 CFCl3 Trichloromonofluoromethane cfcl3  
1611 CF3Br Bromotrifluoromethane cf3br  
1612 GeF4 Germanium tetrafluoride gef4  
1613 CCl4 Carbon tetrachloride ccl4  
1614 CCl4+ Carbon tetrachloride cation ccl4+  
1615 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1616 SiCl4 Silane, tetrachloro- sicl4  
1617 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1618 CF3I trifluoroiodomethane cf3i  
1619 CBrCl3 Methane, bromotrichloro- cbrcl3  
1620 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1621 GeCl4 Germanium Tetrachloride gecl4  
1622 CBr2ClF dibromochlorofluoromethane cbr2clf  
1623 CBr2Cl2 dibromodichloromethane cbr2cl2  
1624 CCl3I trichloroiodomethane ccl3i  
1625 CFBr3 fluorotribromomethane cfbr3  
1626 CFClBrI fluorochlorobromoiodomethane cfclbri  
1627 CBr3Cl tribromochloromethane cbr3cl  
1628 CF2I2 difluorodiiodomethane cf2i2  
1629 CBr4 Carbon tetrabromide cbr4  
1630 CCl2I2 dichlorodiiodomethane ccl2i2  
1631 SiBr4 Silicon tetrabromide sibr4  
1632 CBr3I tribromoiododmethane cbr3i  
1633 GeBr4 Germanium tetrabromide gebr4  
1634 CI4 tetraiodomethane ci4  
1635 SiI4 silicon tetraiodide sii4  
1636 ClOF3 Chlorine trifluoride oxide clof3  
1637 SF4 Sulfur tetrafluoride sf4  
1638 SeF4 Selenium tetrafluoride sef4  
1639 SCl4 Sulfur tetrachloride scl4  
1640 C2HF3 Trifluoroethylene c2hf3  
1641 C2HF3+ Trifluoroethylene cation c2hf3+  
1642 CHClCCl2 Trichloroethylene chclccl2  
1643 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1644 HClO4 perchloric acid hclo4  
1645 HSO3F Fluorosulfonic acid hso3f  
1646 CF3OH trifluoromethanol cf3oh  
1647 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1648 CHClCCHCl 1,3-dichloroallene chclcchcl  
1649 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1650 CHCl2CHO dichloroacetaldehyde chcl2cho  
1651 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1652 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1653 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1654 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1655 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1656 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1657 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1658 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1659 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1660 NH3BCl3 Amminetrichloroboron nh3bcl3  
1661 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1662 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1663 C3H5ClO Oxirane, (chloromethyl)- c106898  
1664 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1665 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1666 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1667 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1668 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1669 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1670 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1671 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1672 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1673 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1674 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1675 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1676 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1677 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1678 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1679 C4H9F 1-fluorobutane butaf1  
1680 CH3CHFCH2CH3 2-fluorobutane butaf2  
1681 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1682 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1683 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1684 XeF4 Xenon tetrafluoride xef4  
1685 C2H2N2O Furazan furazan  
1686 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1687 NH3BF3 Amminetrifluoroboron nh3bf3  
1688 C6H2 hexatriyne c6h2  
1689 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1690 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1691 C6H4 Benzyne benzyne  
1692 C6H5 phenyl phenyl  
1693 C6H5- phenyl anion phenyl-  
1694 C6H6 Prismane prismane  
1695 C6H6 1,2,4,5-Hexatetraene ht1245  
1696 C6H6 2,4-Hexadiyne hexadiyne  
1697 C6H6 3,4-Dimethylenecyclobutene cb34m  
1698 C6H6 Benzene benzene  
1699 C6H6 Benzvalene bv  
1700 C6H6 Dewar Benzene dewar  
1701 C6H6 Hexa-1,5-diene-3-yne hdy153  
1702 C6H6 Trimethylenecycopropane tmcp  
1703 C6H6+ Benzene cation c6h6+  
1704 C6H7+ benzene, protonated c6h7+  
1705 C6H8 (E)-hexa-1,3,5-triene c821078  
1706 C6H8 (E)-hexa-2,3,4-triene c59660650  
1707 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1708 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1709 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1710 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1711 C6H8 3-Methylenecyclopentene c930267  
1712 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1713 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1714 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1715 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1716 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1717 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1718 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1719 C6H10 1,5-Hexadiene c592427  
1720 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1721 C6H10 1-Hexyne hexyne1  
1722 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1723 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1724 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1725 C6H10 2-Hexyne c764352  
1726 C6H10 3-Hexyne hexyne3  
1727 C6H10 cyclohexene cyclohexene  
1728 C6H10 Cyclopentene, 1-methyl- c693890  
1729 C6H10 Cyclopentene, 3-methyl- c1120623  
1730 C6H10 Cyclopentene, 4-methyl- c1759815  
1731 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1732 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1733 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1734 C6H12 (E)-2-Hexene e2hexene  
1735 C6H12 (E)-3-methylpent-2-ene c616126  
1736 C6H12 (E)-hex-3-ene e3hexene  
1737 C6H12 (Z)-3-methylpent-2-ene c922623  
1738 C6H12 (Z)-hex-2-ene z2hexene  
1739 C6H12 (Z)-hex-3-ene z3hexene  
1740 C6H12 2,3-dimethylbut-1-ene c563780  
1741 C6H12 2,3-dimethyl-but-2-ene tmeet  
1742 C6H12 3-methylenepentane c760214  
1743 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1744 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1745 C6H12 Cyclohexane cyclohexane  
1746 C6H12 Cyclopentane, methyl- c96377  
1747 C6H12 Ethylcyclobutane c4806615  
1748 C6H12 hex-1-ene hexene1  
1749 C6H14 Butane, 2,2-dimethyl- buta22  
1750 C6H14 Butane, 2,3-dimethyl- buta23  
1751 C6H14 Hexane hexane  
1752 C6H14 Pentane, 2-methyl- penta2  
1753 C6H14 Pentane, 3-methyl- penta3  
1754 C4N2 2-Butynedinitrile c4n2  
1755 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1756 C4H2N2 Fumaronitrile c4h2n2  
1757 C2H2N4 sym-tetrazine ttz  
1758 C3H3N3 1,3,5-Triazine triazine135  
1759 CH3N5 5-Aminotetrazole c4418615  
1760 C4H4N2 1,3-Diazine diazine13  
1761 C4H4N2 Pyrazine pyrazine  
1762 C4H4N2 Pyridazine pyridazine  
1763 C4H4N2 Succinonitrile c110612  
1764 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1765 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1766 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1767 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1768 C5H5N E-2,4-pentadienenitrile bdcn  
1769 C5H5N Pyridine pyridine  
1770 B3N3H6 borazine borazine  
1771 C6H6 Fulvene fulvene  
1772 C5H6N+ Pyridinium c5h6n  
1773 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1774 C5H7N (E)-2-Pentenenitrile c26294984  
1775 C5H7N (E)-3-Pentenenitrile c16529661  
1776 C5H7N (Z)-2-Pentenenitrile c25899507  
1777 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1778 C5H7N Cyclobutanecarbonitrile c4426113  
1779 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1780 C5H9N Butanenitrile, 2-methyl- c18936179  
1781 C5H9N Pentanenitrile c110598  
1782 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1783 C6H10 Bicyclo[3.1.0]hexane c285585  
1784 C5H11N Cyclopentanamine cypentam  
1785 C5H11N Piperidine piper  
1786 C4H12N2 1,2-Butanediamine c4426486  
1787 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1788 Li2CO3 Lithium Carbonate li2co3  
1789 Na2CO3 Sodium Carbonate na2co3  
1790 C2O4-- oxalate anion c2o4  
1791 MgSO4 Magnesium Sulfate mgso4  
1792 N2O4 Dinitrogen tetroxide n2o4  
1793 C3H2O3 vinylene carbonate vica  
1794 C2H2O4 Oxalic Acid oxalic  
1795 C2H3NO3 Oxamic acid oxamic  
1796 C4H4O2 2(5H)-Furanone furanone  
1797 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1798 C2H4N2O2 Oxalamide oxalamide  
1799 C2H4N2S2 Ethanedithioamide c79403  
1800 C2H4CO3 Ethylene carbonate etco3  
1801 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1802 C3H4S3 1,3-Dithiolane-2-thione c822388  
1803 C2H4O4 Formic acid dimer fadimer  
1804 C4H5NO 3-Methylisoxazole isox3m  
1805 C4H5NO Isoxazole, 5-methyl- c5765446  
1806 C4H5NS 4-Methylthiazole c693958  
1807 C2H5NO3 Nitric acid, ethyl ester c625581  
1808 C5H6O 2H-Pyran pyran2  
1809 C5H6O 2-methylfuran furan2m  
1810 C5H6O 3-Methylfuran furan3m  
1811 C5H6O Pentadienal pdal  
1812 C5H6S Thiophene, 2-methyl- c554143  
1813 C5H6S Thiophene, 3-methyl- c616444  
1814 C4H6O2 γ–Butyrolactone c96480  
1815 C4H6O2 2,3-Butanedione c431038  
1816 C4H6O2 2-Propenoic acid, methyl ester c96333  
1817 C4H6O2 Crotonic Acid crot  
1818 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1819 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1820 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1821 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1822 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1823 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1824 C4H6OS Vinyl sulfoxide c1115157  
1825 CH6N4S Carbonothioic dihydrazide thiacarb  
1826 C2H6N2O2 (E)-Azodioxymethane c37765154  
1827 C2H6N2O2 Dimethylnitroamine c4164287  
1828 C3H6O3 1,3,5-Trioxane trioxane  
1829 C3H6S3 1,3,5-Trithiane c3h6s3  
1830 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1831 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1832 C4H7NO 2-Pyrrolidinone c616455  
1833 C4H7NO Ethoxyacetonitrile etoaccn  
1834 C4H7NO Methacrylamide c79390  
1835 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1836 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1837 C3H7ONO Propyl nitrite prono  
1838 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1839 CH3CH(NH2)COOH Alanine alanine  
1840 CH3NHCH2COOH Sarcosine sarcosine  
1841 NH2CH2CH2COOH β–alanine betaalanine  
1842 NH2COOC2H5 Urethane urethane  
1843 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1844 C5H8O Cyclopentanone c120923  
1845 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1846 C5H8O Methyl cyclopropyl ketone c765435  
1847 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1848 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1849 NH2CONHC2H5 Urea, ethyl- c625525  
1850 C4H8O2 1,3-Dioxane dioxan13  
1851 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1852 C4H8O2 1,4-Dioxane dioxan14  
1853 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1854 C4H8O2 Ethyl acetate c141786  
1855 C4H8OS s-Ethyl thioacetate c625605  
1856 C3H8O3 1,2,3-Propanetriol glycerin  
1857 C3H8O2S (Methylsulfonyl)ethane c594434  
1858 C4H9NO Butanamide c541355  
1859 C4H9NO Propanamide, 2-methyl- c563837  
1860 C5H10O 2-Butanone, 3-methyl- c563804  
1861 C5H10O 2H-Pyran, tetrahydro- c142687  
1862 C5H10O 2-methylbutyraldehyde 2meba  
1863 C5H10O 2-Pentanone mpk  
1864 C5H10O 3-Pentanone dek  
1865 C5H10O Cyclopentanol c96413  
1866 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1867 C5H10O Pentanal pal  
1868 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1869 C5H10S 3-Ethylthio-1-propene c5296628  
1870 C5H10S Cyclopentanethiol c1679078  
1871 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1872 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1873 C4H10O2 1,1-Dimethoxyethane c534156  
1874 C4H10O2 1,3-Butanediol budiol13  
1875 C4H10O2 1,4-Butanediol budiol14  
1876 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1877 C4H10OS Diethyl sulfoxide c70291  
1878 C4H10S2 1,4-Butanedithiol budisl14  
1879 C4H11NO Diethylhydroxylamine c3710847  
1880 C5H12O 1-Butanol, 2-methyl- c137326  
1881 C5H12O 1-Butanol, 3-methyl- c123513  
1882 C5H12O 1-Pentanol pentanol1  
1883 C5H12O 2-Butanol, 3-methyl- c598754  
1884 C5H12O 2-Pentanol peol2  
1885 C5H12O 3-Pentanol pentan3ol  
1886 C5H12O Butane, 1-methoxy- meobu  
1887 C5H12O Propane, 1-ethoxy- proet  
1888 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1889 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1890 C5H12S 1-Butanethiol, 3-methyl- c541311  
1891 C5H12S 1-Pentanethiol c110667  
1892 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1893 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1894 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1895 C5H12S Butane, 1-(methylthio)- c628295  
1896 C5H12S Ethyl propyl sulfide c4110503  
1897 C5H12S Propane, 2-(ethylthio)- c5145993  
1898 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1899 C4F2 difluorobutadiyne c4f2  
1900 ClCOClCO Oxalyl chloride oxcl  
1901 CF3CN Acetonitrile, trifluoro- cf3cn  
1902 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1903 B2F4 Diboron tetrafluoride b2f4  
1904 B2Cl4 Diboron tetrachloride b2cl4  
1905 C2F4 Tetrafluoroethylene c2f4  
1906 C2F4+ Tetrafluoroethylene cation c2f4+  
1907 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1908 CF2CCl2 difluorodichloroethylene cf2ccl2  
1909 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1910 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1911 C2FCl3 fluorotrichloroethene c2fcl3  
1912 C2Cl4 Tetrachloroethylene c2cl4  
1913 C2Br4 tetrabromoethene c2br4  
1914 CF3OF Trifluoromethylhypofluorite cf3of  
1915 SiF5- silicon pentafluoride anion sif5-  
1916 SOF4 Sulfur tetrafluoride oxide sof4  
1917 PF5 Phosphorus pentafluoride pf5  
1918 AsF5 Arsenic pentafluoride asf5  
1919 PCl5 Phosphorus pentachloride pcl5  
1920 SF5 Sulfur pentafluoride sf5  
1921 SF5+ pentafluoro sulfur cation sf5+  
1922 SbCl5 Antimony pentachloride sbcl5  
1923 BrF5 bromine pentafluoride brf5  
1924 ClF5 chlorinepentafluoride clf5  
1925 IF5 pentafluoroiodine if5  
1926 CF3CHO trifluoroacetaldehyde cf3cho  
1927 CCl3CHO trichloroacetaldehyde ccl3cho  
1928 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1929 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1930 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1931 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1932 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1933 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1934 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1935 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1936 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1937 CF3COOH trifluoroacetic acid cf3cooh  
1938 C4H3ClO Furan, 2-chloro fur2cl  
1939 C4H3ClO Furan,3-chloro fur3cl  
1940 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1941 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1942 C4H8Cl2 1,4-Dichlorobutane c110565  
1943 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1944 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1945 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1946 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1947 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1948 C5H11Cl Pentane, 1-chloro- pencl1  
1949 C4H8O2 Butanoic acid bua  
1950 C6H5CH2 benzyl radical benzyl  
1951 C7H7 cycloheptatrienyl radical c7h7  
1952 C7H7+ cycloheptatrienyl cation c7h7+  
1953 C6H5CH3 toluene toluene  
1954 C7H8 cycloheptatriene cht  
1955 C7H8 Norbornadiene norbor  
1956 C7H8 Quadricyclane qucy  
1957 C7H12 Norbornane nor  
1958 C7H14 cycloheptane c7h14  
1959 C7H16 2-methylhexane 2mhex  
1960 C7H16 3-methylhexane hex3m  
1961 C7H16 heptane heptane  
1962 CH(CN)3 tricyanomethane mecn3  
1963 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1964 C6H7N 2-Methylpyridine mp  
1965 C6H5NH2 aniline aniline  
1966 C6H13N 2-Methylpiperidine pip2m  
1967 C6H13N cyclohexanamine cham  
1968 C6H15N triethylamine tea  
1969 N2O5 Dinitrogen pentoxide n2o5  
1970 C4H2O3 Maleic Anhydride malan  
1971 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1972 C5H4O2 furfural furfural  
1973 C6H5O phenoxy radical phenoxy  
1974 C5H5NO 2(1H)-Pyridinone c72762006  
1975 C5H5NO 2(3H)-Pyridinone c9000048  
1976 C5H5NO 2(5H)-Pyridinone c9000037  
1977 C5H5NO 2-Pyridinol c109104  
1978 C5H5NO 3(2H)-Pyridinone c9000004  
1979 C5H5NO 3(4H)-Pyridinone c9000026  
1980 C5H5NO 3(6H)-Pyridinone c9000015  
1981 C5H5NO 3-Pyridinol c109002  
1982 C5H5NO 4(1H)-Pryidinone c9000060  
1983 C5H5NO 4(3H)-Pryidinone c9000059  
1984 C5H5NO 4-Pyridinol c626642  
1985 C6H5OH phenol phenol  
1986 C6H6O 2,4-Cyclohexadienone c24599573  
1987 C6H6O 2,5-Cyclohexadienone c5664335  
1988 C6H5SH Benzenethiol phsh  
1989 HO2CCHNH2CH2OH Serine serine  
1990 C5H8O2 Acetylacetone acac  
1991 C4H8O2S Sulfolane sulfolane  
1992 C7H10 Norbornene norbornene  
1993 CH(C2H3)3 trivinyl methane tvm  
1994 C6H10O cyclohexanone chexo  
1995 C6H12O hexanal c6h12o  
1996 C6H12O Oxepane oxepane  
1997 C3H7OC3H7 di-n-propyl ether propr  
1998 F2CCCF2 tetrafluoroallene pfa  
1999 CF3COO- trifluoro acetate anion cf3coo-  
2000 CF3COF trifluoroacetyl fluoride cf3cof  
2001 CF3COCl trifluoroacetyl chloride cf3cocl  
2002 PF6 Hexafluorophosphate neutral pf6  
2003 PF6- Hexafluorophosphate ion pf6-  
2004 SF6 Sulfur Hexafluoride sf6  
2005 SeF6 Selenium hexafluoride sef6  
2006 SF5Cl sulfur chloropentafluoride sf5cl  
2007 CF3CHF2 pentafluoroethane cf3chf2  
2008 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2009 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2010 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2011 CCl3CHCl2 pentachloroethane ccl3chcl2  
2012 C6H5F Fluorobenzene bzf  
2013 C6H5Cl chlorobenzene bzcl  
2014 C6H5Br bromobenzene bzbr  
2015 C8H6 Calicene calicene  
2016 C6H5CCH phenylacetylene phac  
2017 C8H6 benzocyclobutadiene bcbd  
2018 C8H6 Pentalene pentalene  
2019 C6H5CHCH2 Styrene styrene  
2020 C8H8 cubane cubane  
2021 C8H8 cyclooctatetraene cot  
2022 C6H5CH2CH3 Ethylbenzene etbz  
2023 CH3C6H4CH3 meta-xylene mxylene  
2024 CH3C6H4CH3 paraxylene pxylene  
2025 C8H14 Bicyclo[2.2.2]octane bico222  
2026 C8H16 cyclooctane cyclooct  
2027 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2028 C8H18 Octane c8h18  
2029 C6H5CN phenyl cyanide phcn  
2030 C6H12N2 Triethylenediamine ted  
2031 C4O4-- squarate dianion c4o4--  
2032 S4N4 Tetrasulfur tetranitride s4n4  
2033 S8 Octasulfur s8  
2034 C6H4O2 parabenzoquinone pbq  
2035 C4H4N2O2 Uracil uracil  
2036 C6H5CHO benzaldehyde benzal  
2037 C6H5OCH3 Anisole anisole  
2038 C5H9NO2 Proline proline  
2039 C6H12O2 Methyl pivalate c598981  
2040 C6H12O2 Hexanoic acid hexa  
2041 C4F4 tetrafluorcyclobutadiene c4f4  
2042 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2043 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2044 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2045 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2046 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2047 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2048 C2F6 hexafluoroethane c2f6  
2049 C2Cl6 hexachloroethane c2cl6  
2050 IF7 Iodine heptafluoride if7  
2051 C6H4F2 metadifluorobenzene mdfb  
2052 C6H4F2 orthodifluorobenzene odfb  
2053 C6H4F2 1,4-difluorobenzene pdfb  
2054 C6H4Cl2 1,2-dichlorobenzene dcb12  
2055 C6H4Cl2 1,3-dichlorobenzene dcb13  
2056 C6H4Cl2 1,4-dichlorobenzene dcb14  
2057 C6H5NO nitrosobenzene bzno  
2058 C9H8 Indene indene  
2059 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2060 C9H12 n-propyl benzene prbz  
2061 C9H20 Nonane nonane  
2062 C(CN)4 tetracyanomethane c5n4  
2063 C5H4N4 purine purine  
2064 C8H7N Indole indole  
2065 C3H3N3O3 cyanuric acid cyanuric  
2066 C6H5NO2 Nitrobenzene c6h5no2  
2067 C6H5COOH benzoic acid benzo  
2068 CH3COC6H5 acetophenone acph  
2069 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2070 C3F6 hexafluoropropene c3f6  
2071 C6H3F3 Benzene trifluoride 123 bzf3a  
2072 C8H18O 1-Octanol octanol  
2073 C10H8 Azulene azu  
2074 C10H8 naphthalene naph  
2075 C10H10 bullvalene bullv  
2076 C10H16 adamantane adamantane  
2077 C6N4 Tetracyanoethylene tcne  
2078 C6N4- tetracyanoethylene anion tcne-  
2079 C10H22 Decane decane  
2080 C4F6 perfluorobutadiene c4f6  
2081 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2082 C3F8 perfluoropropane c3f8  
2083 Fe(CO)5 Iron pentacarbonyl ipc  
2084 Fe(C5H5)2 ferrocene fecp2  
2085 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2086 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2087 C12H8 Acenaphthylene acenaph  
2088 C12H8 biphenylene biph  
2089 C12H10 biphenyl biphenyl  
2090 C12H10 Heptalene heptalene  
2091 C6H12O6 Inositol inositol  
2092 C6F6 hexafluorobenzene c6f6  
2093 S2F10 disulphur decafluoride s2f10  
2094 C13H10 Fluorene fluorene  
2095 C14H10 Anthracene anth  
2096 C14H10 Phenanthrene phenanthrene  
2097 C14H14 Bibenzyl bibenzyl  
2098 C12H10N2 azobenzene azobenzene  
2099 C6H5COC6H5 benzophenone benzophenone  
2100 C16H10 Pyrene pyrene  
2101 C18H12 Tetracene tetracene  
2102 C19H16 Triphenylmethane tpm  
2103 C24H12 Coronene coronene  
2104 C60 Buckminsterfullerene c60