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Computational Chemistry Comparison and Benchmark DataBase
Release 22May 2022
NIST Standard Reference Database 101
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XXH-bond dimers
XXIOddities

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III.F.1. (I.A.4.)

List of which calculations are completed at CCSD(T) /6-31G

Jump to calculations not yet done
count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 H2 Hydrogen diatomic 1ΣgD∞h
4 He Helium atom 1SKh
5 Li Lithium atom 2SKh
6 Na Sodium atom 2SKh
7 K Potassium atom 2SKh
8 LiH Lithium Hydride 1ΣC∞v
9 Be Beryllium atom 1SKh
10 Be+ Beryllium atom cation 2SKh
11 Mg Magnesium atom 1SKh
12 Mg+ Magnesium atom cation 2SKh
13 Ca Calcium atom 1SKh
14 Zn Zinc atom 1SKh
15 CaH Calcium monohydride 2ΣC∞v
16 B Boron atom 2PKh
17 B Boron atom 4PKh
18 B+ Boron atom cation 1SKh
19 Al Aluminum atom 2PKh
20 Al+ Aluminum atom cation 1SKh
21 C Carbon atom 3P0Kh
22 C Carbon atom 3P1Kh
23 C+ Carbon atom cation 2PKh
24 Si Silicon atom 3PKh
25 Si Silicon atom 1SKh
26 Si+ Silicon atom cation 2PKh
27 CH4 Methane 1A1Td
28 N Nitrogen atom 4SKh
29 N+ Nitrogen atom cation 3PKh
30 P Phosphorus atom 4SKh
31 As Arsenic atomic 4SKh
32 NH3 Ammonia 1A1C3v
33 O Oxygen atom 3SKh
34 O+ Oxygen atom cation 4SKh
35 S Sulfur atom 3PKh
36 Se Selenium atom 3PKh
37 OH Hydroxyl radical 2ΠC∞v
38 H2O Water 1A1C2v
39 H2Se Hydrogen selenide 1A1C2v
40 F Fluorine atom 2PKh
41 F+ Fluorine atom cation 3SKh
42 Cl Chlorine atom 2PKh
43 Cl+ Chlorine atom cation 3PKh
44 Br Bromine atom 2PKh
45 HF Hydrogen fluoride 1ΣC∞v
46 HCl Hydrogen chloride 1ΣC∞v
47 Ne Neon atom 1SKh
48 Ne+ Neon atom cation 2PKh
49 Ar Argon atom 1SKh
50 Na2 Sodium diatomic 1ΣgD∞h
51 B2H6 Diborane 1AgD2h
52 C2H2 Acetylene 1ΣgD∞h
53 CuCH3 monomethyl copper 1A1C3v
54 C2H4 Ethylene 1AgD2h
55 C2H6 Ethane 1A1gD3d
56 N2 Nitrogen diatomic 1ΣgD∞h
57 CuO Copper Monoxide 2ΠC∞v
58 CaO Calcium monoxide 1ΣC∞v
59 CO Carbon monoxide 1ΣC∞v
60 CS carbon monosulfide 1ΣC∞v
61 NO Nitric oxide 2ΠC∞v
62 O2 Oxygen diatomic 3ΣgD∞h
63 CaOH Calcium monohydroxide 2Σ+C∞v
64 H2CO Formaldehyde 1A1C2v
65 CuF Copper monofluoride 1ΣC∞v
66 LiBr Lithium Bromide 1ΣC∞v
67 CuCl Copper monochloride 1ΣC∞v
68 NaBr Sodium Bromide 1ΣC∞v
69 CaF Calcium monofluoride 2ΣC∞v
70 CaCl calcium monochloride 2ΣC∞v
71 BF Boron monofluoride 1ΣC∞v
72 F2 Fluorine diatomic 1ΣgD∞h
73 Cl2 Chlorine diatomic 1ΣgD∞h
74 C3H5 Allyl radical 2A2C2v
75 C3H6 Cyclopropane 1A1'D3h
76 CH2CHCH3 Propene 1A'Cs
77 CO2 Carbon dioxide 1ΣgD∞h
78 SO2 Sulfur dioxide 1A1C2v
79 CH3CO Acetyl radical 2A'Cs
80 CaF2 Calcium difluoride 1ΣgC2v
81 BF3 Borane, trifluoro- 1A'D3h
82 AlF3 Aluminum trifluoride 1A1'D3h
83 CaCO3 Calcium Carbonate 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 anion h-  
5 D2 Deuterium diatomic d2  
6 H2- hydrogen diatomic anion h2-  
7 H2+ Hydrogen cation h2+  
8 HD Deuterium hydride hd  
9 H3+ hydrogen trimer cation h3+  
10 He- Helium atom anion he-  
11 He+ Helium atom cation he+  
12 HeH Helium hydride heh  
13 HeH+ Helium hydride cation heh+  
14 He2+ helium diatomic cation he2+  
15 Li- Lithium atom anion li-  
16 Li+ Lithium atom cation li+  
17 Na- Sodium atom anion na-  
18 Na+ Sodium atom cation na+  
19 K- Potassium atom anion k-  
20 K+ Potassium atom cation k+  
21 Cu Copper atom cu  
22 Cu- Copper atom anion cu-  
23 Cu+ Copper atom cation cu+  
24 LiH- lithium hydride anion lih-  
25 LiH+ lithium hydride cation lih+  
26 NaH sodium hydride nah  
27 NaH- sodium hydride anion nah-  
28 NaH+ sodium hydride cation nah+  
29 KH Potassium hydride kh  
30 KH+ Potassium hydrogen cation kh+  
31 CuH Copper monohydride cuh  
32 Be- Beryllium atom anion be-  
33 Mg- Magnesium atom anion mg-  
34 Ca- Calcium atom anion ca-  
35 Ca+ Calcium atom cation ca+  
36 Zn- Zinc atom anion zn-  
37 Zn+ Zinc atom cation zn+  
38 BeH beryllium monohydride beh  
39 BeH- berylium monohydride anion beh-  
40 BeH+ beryllium monohydride cation beh+  
41 MgH magnesium monohydride mgh  
42 MgH- magnesium monohydride anion mgh-  
43 MgH+ magnesium monohydride cation mgh+  
44 CaH+ Calcium monohydride cation cah+  
45 TiH Titanium monohydride tih  
46 ZnH Zinc monohydride znh  
47 ZnH+ Zinc, protonated znh+  
48 BeH2 beryllium dihydride beh2  
49 BeH2+ Beryllium dihydride cation beh2+  
50 MgH2 magnesium dihydride mgh2  
51 CaH2 Calcium Hydride cah2  
52 ZnH2 Zinc hydride znh2  
53 B- Boron atom anion b-  
54 Al- Aluminum atom anion al-  
55 Sc Scandium atom sc  
56 Sc+ Scandium cation sc+  
57 Ga Gallium atom ga  
58 Ga- Gallium atom anion ga-  
59 Ga+ Gallium atom cation ga+  
60 BH Boron monohydride bh  
61 BH- boron monohydride anion bh-  
62 BH+ boron monohydride cation bh+  
63 AlH aluminum monohydride alh  
64 AlH- aluminum monohydride anion alh-  
65 AlH+ aluminum monohydride cation alh+  
66 ScH Scandium monohydride sch  
67 ScH+ Scandium monohydride cation sch+  
68 GaH Gallium monohydride gah  
69 GaH+ Gallium monohydride cation gah+  
70 BH2 boron dihydride bh2  
71 BH2- boron dihydride anion bh2-  
72 BH2+ Boron dihydride cation bh2+  
73 AlH2 aluminum dihydride alh2  
74 AlH2- aluminum dihydride anion alh2-  
75 AlH2+ aluminum dihydride cation alh2+  
76 BH3 boron trihydride bh3  
77 BH3- boron trihydride anion bh3-  
78 BH3+ boron trihydride cation bh3+  
79 AlH3 aluminum trihydride alh3  
80 AlH3- aluminum trihydride anion alh3-  
81 AlH3+ aluminum trihydride cation alh3+  
82 ScH3 Scandium trihydride sch3  
83 GaH3 Gallium trihydride gah3  
84 BH4 borohydride bh4  
85 BH4- borohydride anion bh4-  
86 AlH4- Aluminum tetrahydride anion alh4-  
87 C- Carbon atom anion c-  
88 Si- Silicon atom anion si-  
89 Ti Titanium atom ti  
90 Ti- Titanium atom anion ti-  
91 Ti+ Titanium atom cation ti+  
92 Ge Germanium atom ge  
93 Ge- Germanium anion ge-  
94 Ge+ Germanium cation ge+  
95 Sn Tin atom sn  
96 Sn+ Tin cation sn+  
97 CH Methylidyne ch  
98 CH- methylidyne anion ch-  
99 CH+ Methylidyne cation ch+  
100 SiH Silylidyne sih  
101 SiH- silicon monohydride anion sih-  
102 SiH+ silicon monohydride cation sih+  
103 GeH germylidene geh  
104 GeH+ Germaniun monohyrdide cation geh+  
105 CH2 Methylene ch2  
106 CH2- methylene anion ch2-  
107 CH2+ methylene cation ch2+  
108 SiH2 silicon dihydride sih2  
109 SiH2- silicon dihydride anion sih2-  
110 SiH2+ silicon dihydride cation sih2+  
111 GeH2 germylene geh2  
112 GeH2- germylene anion geh2-  
113 CH3 Methyl radical ch3  
114 CH3- methyl anion ch3-  
115 CH3+ methyl cation ch3+  
116 SiH3 Silyl radical sih3  
117 SiH3- Silyl anion sih3-  
118 SiH3+ Silyl cation sih3+  
119 GeH3 Germyl radical geh3  
120 GeH3+ germyl cation geh3+  
121 CD4 methane-d4 cd4  
122 CH2D2 methane-d2 ch2d2  
123 CH3D methane-d ch3d  
124 CH4- Methane anion ch4-  
125 CH4+ Methane cation ch4+  
126 CHD3 methane-d3 chd3  
127 SiH2D2 silane-d2 sih2d2  
128 SiH4 Silane sih4  
129 SiH4+ Silane cation sih4+  
130 GeH4 Germane geh4  
131 SnH4 Stannane snh4  
132 SiH5+ Silane, protonated sih5+  
133 N- Nitrogen atom anion n-  
134 P- Phosphorus atom anion p-  
135 P+ Phosphorus atom cation p+  
136 V Vanadium atom v  
137 V+ Vanadium atom cation v+  
138 As- Arsenic anion as-  
139 As+ Arsenic cation as+  
140 Sb Antimony atom sb  
141 NH Imidogen nh  
142 NH- Imidogen anion nh-  
143 NH+ imidogen cation nh+  
144 PH phosphorus monohydride ph  
145 PH- phosphorus monohydride anion ph-  
146 PH+ phosphorus monohydride cation ph+  
147 AsH Arsenic monohydride ash  
148 AsH+ Arsenic monohydride cation ash+  
149 SbH Antimony monohydride sbh  
150 ND2 Amidogen-d2 nd2  
151 NH2 Amino radical nh2  
152 NH2- amino anion nh2-  
153 NH2+ Amino cation nh2+  
154 PH2 Phosphino radical ph2  
155 PH2- Phosphino anion ph2-  
156 PH2+ Phosphino cation ph2+  
157 AsH2 Arsenic dihydride ash2  
158 AsH2+ Arsenic dihydride cation ash2+  
159 ND3 Ammonia-d3 nd3  
160 NH3- Ammonia anion nh3-  
161 NH3+ ammonia cation nh3+  
162 PH3 Phosphine ph3  
163 PH3+ Phosphine cation ph3+  
164 AsH3 Arsine ash3  
165 AsH3+ Arsine cation ash3+  
166 SbH3 Stibine sbh3  
167 AsH4+ Arsonium ash4+  
168 NH4 Ammonium radical nh4  
169 NH4+ ammonium cation nh4+  
170 PH4 Phosphoranyl radical ph4  
171 PH4+ phosphonium cation ph4+  
172 O- Oxygen atom anion o-  
173 S- Sulfur atom anion s-  
174 S+ Sulfur atom cation s+  
175 Cr Chromium atom cr  
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 cation h2se+  
202 H2Te Hydrogen Telluride h2te  
203 H3O+ hydronium cation h3o+  
204 H3S+ Sulfonium cation h3s+  
205 H3Se+ Hydrogen Selenide, protonated h3se+  
206 F- Fluorine atom anion f-  
207 Cl- Chlorine atom anion cl-  
208 Mn Manganese atom mn  
209 Br- Bromine atom anion br-  
210 Br+ Bromine atom cation br+  
211 I Iodine atom iodine  
212 I- Iodine atom anion iodine-  
213 I+ Iodine atom cation iodine+  
214 DF Hydrofluoric acid-d df  
215 HF- hydrogen fluoride anion hf-  
216 HF+ hydrogen fluoride cation hf+  
217 DCl Hydrochloric acid-d dcl  
218 HCl- hydrogen chloride anion hcl-  
219 HCl+ hydrogen chloride cation hcl+  
220 HBr hydrogen bromide hbr  
221 HBr- hydrogen bromide anion hbr-  
222 HBr+ hydrogen bromide cation hbr+  
223 HI Hydrogen iodide hi  
224 HI+ Hydrogen iodide cation hi+  
225 H2F+ dihydrogen fluoride cation h2f+  
226 H2Cl+ dihydrogen monochloride cation h2cl+  
227 H2Br+ protonated hydrogen bromide h2br+  
228 H2I+ Iodonium h2i+  
229 Ne- Neon atom anion ne-  
230 Ar- Argon atom anion ar-  
231 Ar+ Argon atom cation ar+  
232 Fe Iron atom fe  
233 Kr Krypton atom kr  
234 Kr+ Krypton cation kr+  
235 Xe Xenon atom xe  
236 HeLi+ Helium Lithium cation heli+  
237 NeH neon hydrogen neh  
238 NeH+ neon hydrogen cation neh+  
239 ArH+ Argon hydride cation arh+  
240 KrH+ Protonated Krypton krh+  
241 XeH+ Xenon, protonated xeh+  
242 H2Ar H2 Ar dimer h2ar  
243 Co Cobalt atom cobalt  
244 Ni Nickel atom ni  
245 Li2 Lithium diatomic li2  
246 Li2- lithium diatomic anion li2-  
247 Li2+ lithium diatomic cation li2+  
248 NaLi lithium sodium lina  
249 NaLi- lithium sodium anion lina-  
250 NaLi+ lithium sodium cation lina+  
251 LiK Lithium Potassium lik  
252 Na2- sodium diatomic anion na2-  
253 Na2+ sodium diatomic cation na2+  
254 NaK Sodium Potassium nak  
255 NaK+ Sodium Potassium diatomic cation nak+  
256 K2 Potassium diatomic k2  
257 Cu2 Copper diatomic cu2  
258 LiBe Lithium Beryllium libe  
259 LiMg Lithium magnesium limg  
260 NaBe Sodium Beryllium nabe  
261 NaMg Sodium Magnesium namg  
262 Be2 Beryllium diatomic be2  
263 Be2- Beryllium diatomic anion be2-  
264 Be2+ Beryllium diatomic cation be2+  
265 BeMg Beryllium Magnesium bemg  
266 Mg2 Magnesium diatomic mg2  
267 Mg2- magnesium diatomic anion mg2-  
268 Mg2+ magnesium diatomic cation mg2+  
269 Ca2 Calcium diatomic ca2  
270 LiB Lithium boride lib  
271 LiAl Lithium Aluminum lial  
272 NaAl Sodium aluminum naal  
273 BeB Beryllium monoboride beb  
274 B2 Boron diatomic b2  
275 B2- Boron diatomic anion b2-  
276 B2+ Boron diatomic cation b2+  
277 BAl Boron Aluminum bal  
278 Al2 Aluminum diatomic al2  
279 Al2- aluminum diatomic anion al2-  
280 Al2+ aluminum diatomic cation al2+  
281 BGa Boron Gallium bga  
282 AlGa Aluminum Gallium alga  
283 Ga2 Gallium diatomic ga2  
284 HBBH Diborane(2) hbbh  
285 LiBH4 Lithium borohydride libh4  
286 B2H4 Diborane(4) D2d b2h4  
287 HBHHBH Diborane(4) C2V hbhhbh  
288 B2H6+ Diborane cation b2h6  
289 Al2H6 dialane al2h6  
290 Ga2H6 digallane ga2h6  
291 LiC Lithium Carbide lic  
292 BeC Beryllium Carbide bec  
293 CaC Calcium monocarbide cac  
294 BC boron monocarbide bc  
295 BC- boron monocarbide anion bc-  
296 BC+ boron monocarbide cation bc+  
297 AlC Aluminum carbide alc  
298 BSi Boron silicide bsi  
299 C2 Carbon diatomic c2  
300 C2- carbon diatomic anion c2-  
301 C2+ carbon diatomic cation c2+  
302 SiC silicon monocarbide sic  
303 SiC- silicon monocarbide anion sic-  
304 SiC+ silicon monocarbide cation sic+  
305 Si2 Silicon diatomic si2  
306 Si2- silcon diatomic anion si2-  
307 Si2+ silcon diatomic cation si2+  
308 GeC Germanium monocarbide gec  
309 SiGe Silicon Germanium sige  
310 Ge2 Germanium diatomic ge2  
311 C2H Ethynyl radical c2h  
312 C2H- Ethynyl anion c2h-  
313 C2H+ Ethynyl cation c2h+  
314 ZnCH2 Zinc methylene znch2  
315 C2H2+ acetylene cation c2h2+  
316 CCH2 vinylidene vinylidene  
317 H2CC- vinylidene anion h2cc-  
318 HCCH- acetylene anion c2h2-  
319 Si2H2 disilyne si2h2  
320 CH3Li methyl lithium ch3li  
321 ZnCH3 Zinc monomethyl znch3  
322 CH2BH methyleneborane ch2bh  
323 C2H3 vinyl c2h3  
324 C2H3- vinyl anion c2h3-  
325 C2H3+ vinyl cation c2h3+  
326 C2H4- Ethylene anion c2h4-  
327 C2H4+ Ethylene cation c2h4+  
328 CH3CH methylmethylene ch3ch  
329 CH2SiH2 silaethylene ch2sih2  
330 Si2H4 Disilene si2h4  
331 CH3BH2 methylborane ch3bh2  
332 C2H5 Ethyl radical c2h5  
333 C2H5- Ethyl anion c2h5-  
334 C2H5+ Ethyl cation c2h5+  
335 C2H6+ ethane cation c2h6+  
336 CH3SiH3 methyl silane ch3sih3  
337 Si2H6 disilane si2h6  
338 GeH3CH3 methyl germane geh3ch3  
339 C2H7+ Ethane, protonated c2h7+  
340 LiN Lithium Nitride lin  
341 LiN+ Lithium Nitride cation lin+  
342 LiP Lithium monophosphide lip  
343 BeN Beryllium mononitride ben  
344 BeN- Beryllium mononitride anion ben-  
345 BeN+ Beryllium mononitride cation ben+  
346 MgN Magnesium Nitride mgn  
347 BN- boron nitride anion bn-  
348 AlN- aluminum mononitride anion aln-  
349 AlN+ aluminum mononitride cation aln+  
350 BP Boron monophosphide bp  
351 AlP Aluminum monophosphide alp  
352 GaN Gallium mononitride gan  
353 GaP Gallium monophosphide gap  
354 GaAs Gallium arsenide gaas  
355 BN boron nitride bn  
356 BN+ boron nitride cation bn+  
357 AlN Aluminum nitride aln  
358 CN Cyano radical cn  
359 CN- cyanide anion cn-  
360 CN+ Cyano cation cn+  
361 CP Carbon monophosphide cp  
362 CP- carbon monophosphide anion cp-  
363 CP+ carbon monophosphide cation cp+  
364 SiN Silicon nitride sin  
365 SiN- silicon mononitride anion sin-  
366 SiN+ silicon mononitride cation sin+  
367 SiP Silicon monophosphide sip  
368 SiP- Silicon monophosphide anion sip-  
369 SiP+ Silicon monophosphide cation sip+  
370 TiN Titanium mononitride tin  
371 N2- nitrogen diatomic anion n2-  
372 N2+ diatomic nitrogen cation n2+  
373 PN Phosphorus mononitride pn  
374 PN- phosphorus nitride anion pn-  
375 PN+ phosphorus nitride cation pn+  
376 P2 Phosphorus diatomic p2  
377 P2- phosphorus diatomic anion p2-  
378 P2+ phosphorus diatomic cation p2+  
379 AsN Arsenic mononitride asn  
380 AsP Arsenic monophosphide asp  
381 SbN Antimony nitride sbn  
382 As2 Arsenic diatomic as2  
383 HNB hydrogen nitrogen boron hnb  
384 HNC hydrogen isocyanide hnc  
385 HCN Hydrogen cyanide hcn  
386 HCN- Hydrogen cyanide anion hcn-  
387 HCN+ hydrogen cyanide cation hcn+  
388 HNC+ hydrogen isocyanide cation hnc+  
389 HCP Phosphaethyne hcp  
390 HCP+ Phosphaethyne cation hcp+  
391 NNH Dinitrogen monohydride nnh  
392 NNH+ Dinitrogen monohydride cation nnh+  
393 HPO Hydrogen phosphorus oxide hpo  
394 HPO+ Hydrogen phosphorus oxide cation hpo+  
395 LiNH2 lithium amide linh2  
396 HBNH Boranimine hbnh  
397 CNH2 Aminomethylidyne radical cnh2  
398 CNH2+ N-protonated hydrogen isocyanide cnh2+  
399 H2CN Dihydrogen cyanide radical h2cn  
400 H2CN+ hydrocyanonium cation h2cn+  
401 HCNH methyleneazane hcnh  
402 HCNH+ N-protonated HCN hcnh+  
403 H2NN Isodiazene h2nn  
404 N2H2 (E)-diazene n2h2  
405 N2H2 (Z)-Diazene n2h2z  
406 N2H2+ trans-diazene cation n2h2+  
407 CH2NH Methanimine ch3n  
408 CH2NH+ Methanimine cation ch2nh+  
409 CHNH2 aminomethylene chnh2  
410 CHNH2+ Aminocarbene cation chnh2+  
411 CH2PH Phosphaethene ch3p  
412 BH2NH2 Boranamine bh2nh2  
413 CH2NH2+ methyleneamine cation ch2nh2+  
414 N2H4 Hydrazine n2h4  
415 N2H4+ hydrazine cation n2h4+  
416 P2H4 Diphosphine p2h4  
417 CH3NH2 methyl amine ch3nh2  
418 CH3NH2+ methyl amine cation ch3nh2+  
419 CH3PH2 Methyl phosphine ch3ph2  
420 SiH3NH2 Silane, amino sih3nh2  
421 N2H5+ protonated hydrazine n2h5+  
422 BH3PH3 borane phosphine bh3ph3  
423 BH3NH3 borane ammonia bh3nh3  
424 CH3NH3 methyl ammonium radical ch3nh3  
425 CH3NH3+ protonated methylamine ch3nh3+  
426 CH3PH3+ methyl phosphine, protonated ch3ph3+  
427 NH3NH3 Ammonia Dimer nh3nh3  
428 N2H7+ ammonia ammonium dimer n2h7+  
429 LiO lithium oxide lio  
430 LiO- lithium oxide anion lio-  
431 LiO+ lithium oxide cation lio+  
432 LiS Lithium monosulfide lis  
433 LiS+ Lithium sulfide cation lis+  
434 NaO sodium monoxide nao  
435 NaO- sodium oxide anion nao-  
436 NaO+ sodium oxide cation nao+  
437 KO Potassium monoxide ko  
438 KO+ Potassium monoxide cation ko+  
439 NaS Sodium sulfide nas  
440 LiSe Lithium monoselenide lise  
441 BeO beryllium oxide beo  
442 BeO- Beryllium monoxide anion beo-  
443 BeO+ Beryllium monoxide cation beo+  
444 BeS beryllium sulfide bes  
445 MgO magnesium oxide mgo  
446 MgO- magnesium oxide anion mgo-  
447 MgO+ magnesium oxide cation mgo+  
448 MgS magnesium sulfide mgs  
449 MgS- magnesium sulfide anion mgs-  
450 MgS+ magnesium sulfide cation mgs+  
451 CaS Calcium sulfide cas  
452 ZnO zinc monoxide zno  
453 ZnS Zinc sulfide zns  
454 BeS- Beryllium monosulfide anion bes-  
455 BeS+ Beryllium monosulfide cation bes+  
456 BO boron monoxide bo  
457 BO- boron monoxide anion bo-  
458 AlO Aluminum monoxide alo  
459 AlO- Aluminum monoxide anion alo-  
460 AlO+ aluminum monoxide cation alo+  
461 BS boron sulfide bs  
462 BS- boron monosulfide anion bs-  
463 BS+ boron monosulfide cation bs+  
464 AlS Aluminum sulfide als  
465 AlS- aluminum monosulfide anion als-  
466 AlS+ aluminum monosulfide cation als+  
467 ScO Scandium monoxide sco  
468 GaO Gallium monoxide gao  
469 GaS Gallium monosulfide gas  
470 BO+ boron monoxide cation bo+  
471 CO- carbon monoxide anion co-  
472 CO+ carbon monoxide cation co+  
473 CS- carbon monosulfide anion cs-  
474 CS+ carbon monosulfide cation cs+  
475 SiO Silicon monoxide sio  
476 SiO- silicon monoxide anion sio-  
477 SiO+ silicon monoxide cation sio+  
478 SiS silicon monosulfide sis  
479 SiS- silicon monosulfide anion sis-  
480 SiS+ silicon monosulfide cation sis+  
481 TiO Titanium monoxide tio  
482 CSe Carbon monoselenide cse  
483 CSe- Carbon monoselenide anion cse-  
484 CSe+ Carbon monoselenide cation cse+  
485 GeO Germanium monoxide geo  
486 GeO+ Germanium monoxide cation geo+  
487 GeS Germanium monosulfide ges  
488 SiSe Silicon Monoselenide sise  
489 SiSe+ Silicon Monoselenide cation sise+  
490 GeSe Germanium monoselenide gese  
491 NO- nitric oxide anion no-  
492 NO+ nitric oxide cation no+  
493 NS Mononitrogen monosulfide ns  
494 NS- nitrogen sulfide anion ns-  
495 NS+ nitrogen sulfide cation ns+  
496 PO Phosphorus monoxide po  
497 PO- phosphorus monoxide anion po-  
498 PO+ phosphorus monoxide cation po+  
499 PS phosphorus sulfide ps  
500 PS- phosphorus monosulfide anion ps-  
501 PS+ phosphorus monosulfide cation ps+  
502 VO Vanadium monoxide vo  
503 AsO Arsenic monoxide aso  
504 NSe Nitrogen monoselenide nse  
505 AsS Arsenic monosulfide ass  
506 PSe Phosphorus monoselenide pse  
507 AsSe Arsenic monoselenide asse  
508 O2- oxygen diatomic anion o2-  
509 O2-- dioxygen dianion o2--  
510 O2+ diatomic oxygen cation o2+  
511 SO Sulfur monoxide so  
512 SO- sulfur monoxide anion so-  
513 SO+ sulfur monoxide cation so+  
514 S2 Sulfur diatomic s2  
515 S2- sulfur diatomic anion s2-  
516 S2+ sulfur diatomic cation s2+  
517 SeO Selenium monoxide seo  
518 SeO- selenium monoxide anion seo-  
519 SeO+ selenium monoxide cation seo+  
520 SeS Selenium monosulfide ses  
521 SeS- selenium monosulfide anion ses-  
522 SeS+ selenium monosulfide cation ses+  
523 TeO Tellurium monoxide teo  
524 Se2 Selenium diatomic se2  
525 Se2- selenium diatomic anion se2-  
526 Se2+ selenium diatomic cation se2+  
527 Te2 Tellurium diatomic te2  
528 LiOH lithium hydroxide lioh  
529 NaOH sodium hydroxide naoh  
530 KOH Potassium hydroxide koh  
531 BeOH beryllium monohydroxide beoh  
532 MgOH magnesium hydroxide mgoh  
533 HBO Boron hydride oxide hbo  
534 HBS hydrogen boron sulfide hbs  
535 COH Hydroxymethylidyne coh  
536 COH+ Carbon Monoxide, protonated coh+  
537 HCO Formyl radical hco  
538 HCO- formyl anion hco-  
539 HCO+ Formyl cation hco+  
540 HCS Thioformyl radical hcs  
541 HCS- Thioformyl anion hcs-  
542 HCS+ Thioformyl cation hcs+  
543 HNO Nitrosyl hydride hno  
544 HNO- Nitrosyl hydride anion hno-  
545 HNO+ Nitrosyl hydride cation hno+  
546 NOH Hydroxyimidogen noh  
547 NOH+ O-protonated nitric oxide noh+  
548 HNS Sulfur imide hns  
549 HNS- Sulfur imide anion hns-  
550 HO2 Hydroperoxy radical ho2  
551 HO2- Hydroperoxy anion ho2-  
552 HO2+ Hydroperoxy cation ho2+  
553 HSO+ Sulfur Monoxide, S-protonated HSO+  
554 SOH Sulfur Hydroxide soh  
555 SOH+ Sulfur Monoxide, protonated soh+  
556 HS2 Thiosulfeno radical hs2  
557 H2CO- formaldehyde anion h2co-  
558 H2CO+ formaldehyde cation h2co+  
559 HOCH hydroxycarbene hoch  
560 H2CS Thioformaldehyde h2cs  
561 H2CS- thioformaldehyde anion h2cs-  
562 H2CS+ thioformaldehyde cation h2cs+  
563 H2CSe Selenoformaldehyde h2cse  
564 H2NO nitroxide h2no  
565 H2O2 Hydrogen peroxide h2o2  
566 H2O2+ Hydrogen peroxide cation h2o2+  
567 H2OO water oxide h2oo  
568 HOSH hydrogen thioperoxide hosh  
569 H2S2 Disulfane h2s2  
570 H2S2+ hydrogen disulfide cation h2s2+  
571 H2Se2 hydrogen diselenide h2se2  
572 CH2OH Hydroxymethyl radical ch2oh  
573 CH2OH+ hydroxymethyl cation ch2oh+  
574 CH3O Methoxy radical ch3o  
575 CH3O- methoxy anion ch3o-  
576 CH3O+ Methoxy cation ch3o+  
577 CH3S thiomethoxy ch3s  
578 H2CSH+ Thioformaldehyde, protonated h2csh+  
579 NH2OH hydroxylamine nh2oh  
580 NH2OH+ Hydroxylamine cation nh2oh+  
581 NH3O Ammonia Oxide nh3o  
582 H2POH Phosphinous acid h2poh  
583 H3PO Phosphine oxide h3po  
584 NH2SH Thiohydroxylamine nh2sh  
585 NH3S sulfidoazane nh3s  
586 H3O2+ hydrogen peroxide, protonated h3o2+  
587 CH3OH Methyl alcohol ch3oh  
588 CH3OH- Methyl alcohol anion ch3oh-  
589 CH3OH+ Methyl alcohol cation ch3oh+  
590 CH3SH Methanethiol ch3sh  
591 CH3SH+ Methanethiol cation ch3sh+  
592 SiH3OH silanol sih3oh  
593 CH3SeH Methane selenol ch3seh  
594 NH2OH2+ protonated hydroxylamine nh2oh2+  
595 NH3OH+ N-protonated hydroxylamine nh3oh+  
596 H2OH2O water dimer h2oh2o  
597 CH3OH2+ Methanol, protonated ch3oh2+  
598 CH3SH2+ protonated methylsulfide ch3sh2+  
599 H2ONH3 Water Ammonia Dimer h2onh3  
600 H5O2+ Dihydroxonium ion h5o2+  
601 LiF lithium fluoride lif  
602 LiCl lithium chloride licl  
603 LiCl- lithium chloride anion licl-  
604 LiCl+ lithium chloride cation licl+  
605 NaF sodium fluoride naf  
606 NaF- sodium fluoride anion naf-  
607 NaF+ sodium fluoride cation naf+  
608 KF Potassium Fluoride kf  
609 NaCl Sodium Chloride nacl  
610 NaCl- sodium chloride anion nacl-  
611 NaCl+ sodium chloride cation nacl+  
612 KCl Potassium Chloride kcl  
613 LiBr- lithium bromide anion libr-  
614 LiBr+ lithium bromide cation libr+  
615 NaBr- sodium bromide anion nabr-  
616 NaBr+ sodium bromide cation nabr+  
617 KBr Potassium Bromide kbr  
618 LiI Lithium Iodide lii  
619 NaI Sodium Iodide nai  
620 KI Potassium Iodide ki  
621 LiF- lithium fluoride anion lif-  
622 LiF+ lithium fluoride cation lif+  
623 BeF Beryllium monofluoride bef  
624 BeF- Beryllium monofluoride anion bef-  
625 BeF+ Beryllium monofluoride cation bef+  
626 BeCl beryllium monochloride becl  
627 MgF Magnesium monofluoride mgf  
628 MgF- magnesium fluoride anion mgf-  
629 MgF+ magnesium fluoride cation mgf+  
630 MgCl magnesium monochloride mgcl  
631 MgCl- magnesium monochloride anion mgcl-  
632 MgCl+ magnesium monochloride cation mgcl+  
633 TiCl Titanium Monochloride ticl  
634 ZnF Zinc monofluoride znf  
635 ZnF- Zinc monofluoride anion znf-  
636 ZnF+ Zinc monofluoride cation znf+  
637 ZnCl Zinc monochloride zncl  
638 CaBr Calcium monobromide cabr  
639 BeCl- beryllium monochloride anion becl-  
640 BeCl+ beryllium monochloride cation becl+  
641 BF- Boron monofluoride anion bf-  
642 BF+ Boron monofluoride cation bf+  
643 AlF Aluminum monofluoride alf  
644 AlF- Aluminum monofluoride anion alf-  
645 AlF+ Aluminum monofluoride cation alf+  
646 BCl boron monochloride bcl  
647 BCl- boron monochloride anion bcl-  
648 BCl+ boron monochloride cation bcl+  
649 AlCl Aluminum monochloride alcl  
650 AlCl- aluminum monochloride anion alcl-  
651 AlCl+ aluminum monochloride cation alcl+  
652 ScF Scandium monofluoride scf  
653 BBr Boron monobromide bbr  
654 GaF Gallium monofluoride gaf  
655 GaF+ Gallium monofluoride cation gaf+  
656 AlBr Aluminum monobromide albr  
657 GaCl Gallium monochloride gacl  
658 GaCl+ Gallium monochloride cation gacl+  
659 AlI Aluminum monoiodide ali  
660 GaBr Gallium monobromide gabr  
661 CF Fluoromethylidyne cf  
662 CF- carbon monofluoride anion cf-  
663 CF+ carbon monofluoride cation cf+  
664 CCl carbon monochloride ccl  
665 CCl- carbon monochloride anion ccl-  
666 CCl+ carbon monochloride cation ccl+  
667 SiF silicon monofluoride sif  
668 SiF- silicon monofluoride anion sif-  
669 SiF+ silicon monofluoride cation sif+  
670 SiCl Clorosilylidyne sicl  
671 SiCl- silicon monochloride anion sicl-  
672 SiCl+ silicon monochloride cation sicl+  
673 CBr Carbon monobromide cbr  
674 GeF Germanium monofluoride gef  
675 GeF+ Germanium monofluoride cation gef+  
676 GeCl Germanium monochloride gecl  
677 GeCl+ Germanium monochloride cation gecl+  
678 SiBr Silicon monobromide sibr  
679 SiBr+ Silicon monobromide cation sibr+  
680 NF nitrogen fluoride nf  
681 NF- nitrogen monofluorine anion nf-  
682 NF+ nitrogen monofluoirde cation nf+  
683 NCl nitrogen monochloride ncl  
684 NCl- nitrogen monochloride anion ncl-  
685 NCl+ nitrogen monochloride cation ncl+  
686 PF phosphorus monofluoride pf  
687 PF- phosphorus monofluoride anion pf-  
688 PF+ phosphorus monofluoride cation pf+  
689 PCl phosphorus chloride pcl  
690 PCl- phosphorus monochloride anion pcl-  
691 PCl+ phosphorus monochloride cation pcl+  
692 AsF Arsenic monofluoride asf  
693 NBr nitrogen monobromide nbr  
694 AsCl Arsenic monochloride ascl  
695 PBr Phosphorus monobromide pbr  
696 SbF Antimony monofluoride sbf  
697 SbCl Antimony monochloride sbcl  
698 FO Oxygen monofluoride fo  
699 FO- flourine oxide anion fo-  
700 FO+ fluorine monoxide cation fo+  
701 ClO Monochlorine monoxide clo  
702 ClO- chlorine monoxide anion clo-  
703 ClO+ chlorine monoxide cation clo+  
704 SF Monosulfur monofluoride sf  
705 SF- sulfur monofluoride anion sf-  
706 SF+ sulfur monofluoride cation sf+  
707 SCl sulfur monochloride scl  
708 SCl- sulfur monochloride anion scl-  
709 SCl+ sulfur monochloride cation scl+  
710 BrO Bromine monoxide bro  
711 BrO- Bromine monoxide anion bro-  
712 BrO+ Bromine monoxide cation bro+  
713 SeF Selenium monofluoride sef  
714 SBr Sulfur monobromide radical sbr  
715 SBr+ Sulfur monobromide cation sbr+  
716 SeCl Selenium monochloride secl  
717 IO Iodine monoxide io  
718 SeBr Selenium monobromide sebr  
719 BrCl Bromine monochloride brcl  
720 F2- flourine diatomic anion f2-  
721 F2+ flourine diatomic cation f2+  
722 ClF Chlorine monofluoride clf  
723 ClF- clorine monofluoride anion clf-  
724 ClF+ clorine monofluoride cation clf+  
725 Cl2- chlorine diatomic anion cl2-  
726 Cl2+ chlorine diatomic cation cl2+  
727 BrF Bromine monofluoride brf  
728 BrF- bromine fluoride anion brf-  
729 BrF+ bromine fluoride cation brf+  
730 BrCl- bromine chloride anion brcl-  
731 BrCl+ bromine chloride cation brcl+  
732 IF Iodine monofluoride if  
733 Br2 Bromine diatomic br2  
734 Br2- bromine diatomic anion br2-  
735 Br2+ bromine diatomic cation br2+  
736 ICl Iodine monochloride icl  
737 IBr Iodine monobromide ibr  
738 I2 Iodine diatomic i2  
739 I2+ Iodine diatomic cation i2+  
740 HCF Fluoromethylene hcf  
741 HCCl Chloromethylene hccl  
742 HSiF fluorosilylene hsif  
743 HSiCl Chlorosilylene hsicl  
744 HSiBr monobromosilylene hsibr  
745 CHBr bromomethylene chbr  
746 HOF Hypofluorous acid hfo  
747 DOCl Hypochlorous acid-d docl  
748 HOCl hypochlorous acid hocl  
749 HOCl+ hypochlorous acid cation hocl+  
750 HOBr Hypobromous acid hobr  
751 HOBr+ Hypobromous acid cation hobr+  
752 HOI Hypoiodous acid hoi  
753 F2H+ Fluorine, protonated f2h+  
754 FHF Hydrogen difluoride fhf  
755 FHF- Hydrogen difluoride anion fhf-  
756 ClFH+ Chlorine fluoride, F-protonated clfh+  
757 FClH+ Chlorine fluoride, Cl-protonated fclh+  
758 Cl2H+ Chlorine, protonated cl2h+  
759 CH2Br bromomethyl radical ch2br  
760 CH2F fluoromethyl radical ch2f  
761 CH2F+ fluoromethyl cation ch2f+  
762 CH2Cl+ chloromethyl cation ch2cl+  
763 CH2Cl chloromethyl radical ch2cl  
764 NH2F monofluoroamine nh2f  
765 NH2Cl chloramine nh2cl  
766 H2F2 Hydrogen fluoride dimer h2f2  
767 CH3F+ methyl fluoride cation ch3f+  
768 CD3F methylfluoride-d3 cd3f  
769 CH3F Methyl fluoride ch3f  
770 CD3Cl methyl chloride d3 cd3cl  
771 CH3Cl Methyl chloride ch3cl  
772 CH3Cl+ Methyl chloride cation ch3cl+  
773 SiH3F monofluorosilane sih3f  
774 SiH3Cl chlorosilane sih3cl  
775 CH3Br methyl bromide ch3br  
776 GeH3F monofluorogermane geh3f  
777 GeH3Cl monochlorogermane geh3cl  
778 SiH3Br bromosilane sih3br  
779 CH3I methyl iodide ch3i  
780 SiH3I Silyl Iodide sih3i  
781 NH3Cl+ protonated monochloroammonia nh3cl+  
782 CH3ClH+ methyl chloride, protonated ch3clh+  
783 NH4Cl Ammonium chloride nh4cl  
784 LiNe+ Lithium Neon cation line+  
785 Ne2 Neon diatomic ne2  
786 Ne2+ Neon diatomic cation ne2+  
787 Ar2 Argon diatomic ar2  
788 Ar2+ Argon diatomic cation ar2+  
789 Li3 Lithium trimer li3  
790 Li3+ Lithium trimer cation li3+  
791 C3 carbon trimer c3  
792 C3+ carbon trimer cation c3+  
793 SiC2 Silicon dicarbide sic2  
794 C3H3 cyclopropenyl radical cpr  
795 C3H3 Propargyl radical propargyl  
796 C3H3- Propargyl anion c3h3-  
797 C3H3+ cyclopropenyl cation cpr+  
798 C3H3+ Propargyl cation c3h3+  
799 C3H4 cyclopropene cprop  
800 CH2CCH2 allene allene  
801 CH3CCH propyne propyne  
802 C3H5+ Allyl cation allyl+  
803 CH3CHCH 1-propenyl radical ch3chch  
804 Zn(CH3)2 dimethyl zinc dmz  
805 C3H7 n-Propyl radical npropyl  
806 C3H7+ cyclopropane, protonated c3h7+  
807 CH3CHCH3 Isopropyl radical isopropyl  
808 CH3CHCH3+ Isopropyl cation prop2yl+  
809 C3H8 Propane propane  
810 SiH2(CH3)2 dimethylsilane dms  
811 Si3H8 trisilane si3h8  
812 LiCN lithium cyanide licn  
813 NaCN Sodium Cyanide nacn  
814 KCN Potassium cyanide kcn  
815 CuCN Copper cyanide cucn  
816 ZnCN Zinc monocyanide zncn  
817 ZnNC Zinc isocyanide znnc  
818 AlCN Aluminum monocyanide alcn  
819 AlNC Aluminum isocyanide alnc  
820 CN2 3H-Diazirin-3-ylidene cn2  
821 CNN Diazocarbene cnn  
822 NCN Cyanoimidogen ncn  
823 N3 azide radical n3  
824 N3- azide anion n3-  
825 N3+ azide cation n3+  
826 HCCN cyanomethylene hccn  
827 HCNN diazomethyl radical hcnn  
828 HN3 hydrogen azide hn3  
829 HN3+ Hydrazoic acid cation hn3+  
830 HNCNH diiminomethane hncnh  
831 CH2N2 diazirine ch2n2  
832 CH2NN diazomethane ch2nn  
833 NH2CN cyanamide cyanamide  
834 HNNNH+ 1,2-Triazadienium n2h3+  
835 NH2NN+ hydrazoic acid, protonated nh2nn+  
836 CH3CN Acetonitrile ch3cn  
837 CH3CN- acetonitrile anion ch3cn-  
838 CH3CN+ Acetonitrile cation ch3cn+  
839 CH3NC methyl isocyanide ch3nc  
840 CHNCH2 2H-Azirine c157164  
841 CHNHCH 1H-Azirine chnhch  
842 H2CCNH Ethenimine ch2cnh  
843 H2CNCH methyleneaminomethylene ch2nch  
844 HCCNH2 Ethynamine hccnh2  
845 HCNCH2+ 2H-Azirine cation hcnch2+  
846 HNCNH2+ diiminomethane, protonated hncnh2+  
847 NCNH3+ Cyanamide, protonated ncnh3+  
848 NH2CNH+ cyanamide, cn protonated nh2cnh+  
849 NH3CN+ cyanamide, amine protonated nh3cn+  
850 CH2CHNH vinylazine ch2chnh  
851 CH3CHN methylmethaniminyl radical ch3chn  
852 NHCHNH2 aminomethanimine cn2h4  
853 C2H5N Aziridine c2h5n  
854 CH2CHNH2 aminoethene aminoethene  
855 CH2NCH3 N-methylmethanimine nmm  
856 CH3CHNH ethanimine ethanimine  
857 NH2BHNH2 diaminoborane nh2bhnh2  
858 C2H5NH+ Protonated Aziridine c2h5nh+  
859 C2H6N+ aziridine, protonated c2h6n+  
860 NH2CH2NH2 diaminomethane nh2ch2nh2  
861 CH3CH2NH2 Ethylamine etam  
862 CH3NHCH3 Dimethylamine ch3nhch3  
863 CH3PHCH3 dimethylphosphine ch3phch3  
864 NH2CH2NH3+ diaminoethane, protonated pdam  
865 (CH3)2NH2+ dimethylammonium cation dmam  
866 CH3CH2NH3+ ethylamine, protonated pea  
867 Li2O dilithium oxide li2o  
868 Li2O+ dilithium oxide cation li2o+  
869 Li2S dilithium sulfide li2s  
870 Na2O disodium monoxide na2o  
871 Na2S Sodium sulfide na2s  
872 LiO2 Lithium dioxide lio2  
873 NaO2 Sodium superoxide nao2  
874 CCO Dicarbon monoxide cco  
875 CNO- fulminate cno-  
876 NCO isocyanato radical nco  
877 NCO- cyanate nco-  
878 SCN thiocyanato radical scn  
879 SCN- thiocyanide anion scn-  
880 BO2 Boron dioxide bo2  
881 BO2- Boron dioxide anion bo2-  
882 BO2+ Boron dioxide cation bo2+  
883 N2O Nitrous oxide n2o  
884 N2O- Nitrous oxide anion n2o-  
885 N2O+ Nitrous oxide cation n2o+  
886 NNS Nitrogen sulfide nns  
887 PPO Phosphorus oxide phosphide ppo  
888 CO2- Carbon dioxide anion co2-  
889 CO2+ Carbon dioxide cation co2+  
890 OCS Carbonyl sulfide cos  
891 OCS+ Carbonyl sulfide cation cos+  
892 SiO2 silicon dioxide sio2  
893 CS2 Carbon disulfide cs2  
894 CS2- Carbon disulfide anion cs2-  
895 CS2+ Carbon disulfide cation cs2+  
896 TiO2 Titanium dioxide tio2  
897 SiS2 Silicon disulfide sis2  
898 GeO2 Germanium dioxide geo2  
899 OCSe Carbonyl selenide ocse  
900 SCSe Carbon sulfide selenide scse  
901 GeS2 Germanium disulfide ges2  
902 CSe2 Carbon diselenide cse2  
903 SCTe Carbon sulfide Telluride scte  
904 NO2 Nitrogen dioxide no2  
905 NO2- Nitrogen dioxide anion no2-  
906 NO2+ Nitrogen dioxide cation no2+  
907 NSO sulfinyl amidogen NSO  
908 PO2 Phosphorus dioxide po2  
909 PO2- Phosphorus dioxide anion po2-  
910 PO2+ Phosphorus dioxide cation po2+  
911 SNO Nitrogen oxide sulfide sno  
912 AsO2 Aresenic dioxide aso2  
913 O3 Ozone o3  
914 O3- Ozone anion o3-  
915 O3+ Ozone cation o3+  
916 SO2- Sulfur dioxide anion so2-  
917 SO2+ Sulfur dioxide cation so2+  
918 SSO Disulfur monoxide sso  
919 S3 Sulfur trimer s3  
920 S3- Sulfur trimer anion s3-  
921 S3+ Sulfur trimer cation s3+  
922 SeO2 Selenium dioxide seo2  
923 SeO2+ Selenium dioxide cation seo2+  
924 TeO2 Tellurium Dioxide teo2  
925 HCCO ketenyl radical ketenyl  
926 CS2H+ Carbon disulfide, protonated cs2h+  
927 HCNO fulminic acid hcno  
928 HNCO Isocyanic acid hnco  
929 HOCN cyanic acid hocn  
930 HNCS Isothiocyanic acid hncs  
931 HSCN thiocyanic acid hscn  
932 HCO2- formate anion hco2-  
933 HNNO nitrosoazane hnno  
934 HNNO+ Nitrous oxide, N-protonated hnno+  
935 NNOH+ Nitrous Oxide, O-protonated nnoh+  
936 HCOO formate neutral radical hcoo  
937 HOCO Hydrocarboxyl radical hoco  
938 HOCO+ Hydrocarboxyl cation hoco+  
939 HNO2 Nitrous acid hno2  
940 HNO2+ nitrous acid cation hno2+  
941 O3H+ protonated ozone o3h+  
942 SO2H+ protonated sulfur dioxide so2h+  
943 C2H2O Oxirene oxirene  
944 CH2CO Ketene ch2co  
945 CH2CO+ Ketene cation ch2co+  
946 HCCOH ethynol hccoh  
947 CH2CS Thioketene ch2cs  
948 Be(OH)2 Beryllium hydroxide beo2h2  
949 Mg(OH)2 Magnesium dihydroxide h2mgo2  
950 NH2NO Nitrosamide nh2no  
951 CH2O2 Dioxirane diox  
952 H2COO Dioxymethyl radical h2coo  
953 H2COO+ dioxymethyl cation h2coo+  
954 HCOOH Formic acid ch2o2  
955 H2O3 Hydrogen trioxide h2o3  
956 HSSSH trisulfane hsssh  
957 NaOCH3 Sodium methoxide naoch3  
958 CH2BOH hydroxy(methylene)borane ch2boh  
959 BH3CO Borane carbonyl bh3co  
960 CH3BO Borane, methyloxo- ch3bo  
961 CH2CHO Vinyloxy radical ch2cho  
962 CH2COH+ ketene, protonated ch2coh+  
963 CH3CO- Acetyl anion ch3co-  
964 CH3CO+ acetyl cation ch3co+  
965 CH2NOH formaldoxime ch2noh  
966 CH3NO nitrosomethane ch3no  
967 CHONH2 formamide formamide  
968 CNOH3 1,2-oxaziridine cnoh3  
969 HOCHNH hydroxymethylimine hochnh  
970 CHSNH2 thioformamide chsnh2  
971 NHCHSH Methanimidothioic acid nhchsh  
972 CH2OOH CH2OOH radical ch2ooh  
973 CH3OO methylperoxy radical ch3oo  
974 CH3OO- methylperoxy anion ch3oo-  
975 CH3OO+ methylperoxy cation ch3oo+  
976 C2H4O Ethylene oxide c2h4o  
977 C2H4O+ ethylene oxide cation c2h4o+  
978 CH2CHOH ethenol ch2choh  
979 CH3CHO Acetaldehyde ch3cho  
980 CH3CHO+ acetaldehyde cation ch3cho+  
981 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
982 C2H4S Thiirane thiirane  
983 CH2CHSH Ethenethiol ch2chsh  
984 CH3CHS Thioacetaldehyde ch3chs  
985 H2CONH2+ protonated formamide h2conh2+  
986 NH2CHOH+ Formamide, O-protonated nh2choh+  
987 NH3CHO+ Formamide, N-Protonated nh3cho+  
988 CH2(OH)2 methanediol ch2o2h2  
989 CH3OOH Methyl peroxide ch3ooh  
990 CH3SSH Hydrogen methyl disulfide ch3ssh  
991 HSCH2SH Methanedithiol ch4s2  
992 H2OH2CO water formaldehyde dimer h2oh2co  
993 C2H4OH+ ethylene oxide, protonated c2h4oh+  
994 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
995 CH3CH2O Ethoxy radical ethoxy  
996 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
997 CH3CHOH+ acetaldehyde, protonated ch3choh+  
998 CH3OCH2 methoxymethyl radical ch3och2  
999 NH2CH2OH aminomethanol nh2ch2oh  
1000 CH3CH2OH Ethanol etoh  
1001 CH3OCH3 Dimethyl ether meome  
1002 CH3CH2SH ethanethiol etsh  
1003 CH3SCH3 Dimethyl sulfide mesme  
1004 CH3SCH3+ dimethyl sulfide cation mesme+  
1005 CH3SeCH3 dimethylselenide dmse  
1006 CH3OHH2O methanol water dimer ch3ohh2o  
1007 H2OCH3OH water methanol dimer h2och3oh  
1008 CuF2 Copper difluoride cuf2  
1009 ZnF2 Zinc difluoride znf2  
1010 CNF iso cyanogen fluoride cnf  
1011 FCN Cyanogen fluoride fcn  
1012 ClCN chlorocyanogen clcn  
1013 BrCN Cyanogen bromide brcn  
1014 ICN Cyanogen iodide icn  
1015 FBO Boron monofluoride monoxide fbo  
1016 BeF2 Beryllium fluoride bef2  
1017 MgF2 Magnesium fluoride mgf2  
1018 BeCl2 Beryllium chloride becl2  
1019 MgCl2 Magnesium dichloride mgcl2  
1020 CaCl2 Calcium Chloride cacl2  
1021 ZnCl2 Zinc dichloride zncl2  
1022 BeBr2 Beryllium bromide bebr2  
1023 CaBr2 Calcium dibromide cabr2  
1024 FCO Carbonyl fluoride fco  
1025 FCO+ Carbonyl fluoride cation fco+  
1026 ClCO carbonyl monochloride clco  
1027 BF2 Boron difluoride radical bf2  
1028 FNO Nitrosyl fluoride fno  
1029 ClNO Nitrosyl chloride clno  
1030 FNS Thionitrosyl fluoride fns  
1031 FSN Thiazyl fluoride fsn  
1032 OPCl Phosphorus oxychloride opcl  
1033 BrNO Nitrosyl bromide brno  
1034 INO Nitrosyl iodide ino  
1035 CF2 Difluoromethylene cf2  
1036 CF2- Difluoromethylene anion cf2-  
1037 CF2+ Difluoromethylene cation cf2+  
1038 CFCl chlorofluoromethylene cfcl  
1039 SiF2 Silicon difluoride sif2  
1040 SiF2+ Silicon difluoride cation sif2+  
1041 CCl2 dichloromethylene ccl2  
1042 CCl2- dichloromethylene anion ccl2-  
1043 CCl2+ dichloromethylene cation ccl2+  
1044 SiCl2 Dichlorosilylene sicl2  
1045 GeF2 Germanium difluoride gef2  
1046 GeCl2 Germanium dichloride gecl2  
1047 CBr2 dibromomethylene cbr2  
1048 FOO Dioxygen monofluoride radical foo  
1049 FOO+ Fluorine dioxide cation foo+  
1050 ClOO chloroperoxy radical cloo  
1051 ClOO+ chloroperoxy cation cloo+  
1052 OClO Chlorine dioxide oclo  
1053 OClO- Chlorine dioxide anion oclo-  
1054 OClO+ Chlorine dioxide cation oclo+  
1055 ClSO Sulfur chloride oxide clso  
1056 ClS2 Sulfur chloride cls2  
1057 BrOO Bromine dioxide broo  
1058 OBrO Bromine dioxide radical obro  
1059 NF2 Difluoroamino radical nf2  
1060 NF2+ Difluoroamino cation nf2+  
1061 PF2 Phosphorus difluoride pf2  
1062 PF2+ Phosphorus difluoride cation pf2+  
1063 FClO chlorosyl fluoride fclo  
1064 F2O Difluorine monoxide f2o  
1065 ClOF Chlorine hypofluorite clof  
1066 SF2 sulfur difluoride sf2  
1067 SF2- sulfur difluoride anion sf2-  
1068 SF2+ sulfur difluoride cation sf2+  
1069 Cl2O Dichlorine monoxide cl2o  
1070 SCl2 Sulfur dichloride scl2  
1071 SeF2 Selenium difluoride sef2  
1072 BrOCl Bromine hypochlorite brocl  
1073 SeCl2 Selenium Dichloride secl2  
1074 SBr2 Sulfur dibromide sbr2  
1075 SeBr2 Selenium dibromide sebr2  
1076 BrOBr Bromine oxide brobr  
1077 F3- trifluoride anion f3-  
1078 Cl3- trichloride anion cl3-  
1079 Br3- tribromide anion br3-  
1080 I3- triiodide i3-  
1081 SFCl Sulfur chloride fluoride sfcl  
1082 HCCF Fluoroacetylene hccf  
1083 HCCF+ fluoroacetylene cation hccf+  
1084 HCCCl Chloroacetylene hcccl  
1085 HCCBr bromoacetylene hccbr  
1086 HFCO formyl fluoride hfco  
1087 HFCO+ formyl fluoride cation hfco+  
1088 COHCl Formyl chloride cohcl  
1089 COHBr Formyl bromide cohbr  
1090 BHF2 Difluoroborane bhf2  
1091 BHCl2 Borane, dichloro- bhcl2  
1092 CHCl2 dichloromethyl radical chcl2  
1093 CHF2 difluoromethyl radical chf2  
1094 CHF2+ difluoromethyl cation chf2+  
1095 CHFCl Chlorofluoromethyl radical chfcl  
1096 CHFCl+ Chlorofluoromethyl cation chfcl+  
1097 CHCl2+ dichloromethyl cation chcl2+  
1098 CHBr2 dibromomethyl radical chbr2  
1099 HOClO Chlorous acid hoclo  
1100 NHF2 difluoramine nhf2  
1101 NHCl2 dichloroamine nhcl2  
1102 CH2F2 Methane, difluoro- ch2f2  
1103 CH2FCl fluorochloromethane ch2fcl  
1104 SiH2F2 difluorosilane sih2f2  
1105 CH2Cl2 Methylene chloride ch2cl2  
1106 CH2BrF Methane, bromofluoro- ch2fbr  
1107 CH2BrCl Methane, bromochloro- ch2clbr  
1108 CH2FI fluoroiodomethane ch2fi  
1109 CH2Br2 dibromomethane ch2br2  
1110 CH2ClI chloroiodomethane ch2cli  
1111 CH2BrI bromoiodomethane ch2bri  
1112 CH2I2 Diiodomethane ch2i2  
1113 SiH2Cl2 dichlorosilane sih2cl2  
1114 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1115 CH2CHF Ethene, fluoro- ch2chf  
1116 CH2CHF+ fluoroethene cation ch2chf+  
1117 C2H3Cl Ethene, chloro- ch2chcl  
1118 C2H3Br vinyl bromide c2h3br  
1119 C2H3I Vinyl iodide c2h3i  
1120 CH2FOH fluoromethanol ch2foh  
1121 CH3OCl methyl hypochlorite ch3ocl  
1122 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1123 CHClCH3 1-chloroethyl radical chclch3  
1124 C2H5F fluoroethane c2h5f  
1125 CH3CH2Cl Ethyl chloride c2h5cl  
1126 CH3SiFH2 fluoromethylsilane ch3sifh2  
1127 C2H5Br Ethyl bromide etbr  
1128 C2H5I Ethyl iodide c2h5i  
1129 KrF2 Krypton difluoride krf2  
1130 XeF2 Xenon difluoride xef2  
1131 B4H10 Tetraborane(10) b4h10  
1132 C4 Carbon tetramer c4  
1133 C4+ Carbon tetramer cation c4+  
1134 C4H2 Diacetylene c4h2  
1135 C4H2+ diacetlyene cation c4h2+  
1136 C2H3CCH 1-Buten-3-yne c2h3cch  
1137 C4H4 cyclobutadiene cbd  
1138 C4H4 Tetrahedrane c4h4  
1139 H2CCCCH2 Butatriene h2cccch2  
1140 C4H6 1-Methylcyclopropene c3100047  
1141 C4H6 Cyclobutene c822355  
1142 C4H6 Methylenecyclopropane c6142730  
1143 CH2CCHCH3 1,2-Butadiene butad12  
1144 CH2CHCHCH2 1,3-Butadiene c106990  
1145 CH3CCCH3 2-Butyne c503173  
1146 CHCCH2CH3 1-Butyne c107006  
1147 CH3CHCHCH2 methylallyl radical c4h7  
1148 C4H8 methylcyclopropane mcp  
1149 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1150 CH2CHCH2CH3 1-Butene bute1  
1151 CH3CHCHCH3 2-Butene, (E)- bute2e  
1152 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1153 B(CH3)3 trimethylborane bme3  
1154 Al(CH3)3 trimethyl aluminum tma  
1155 C(CH3)3 Tert-butyl radical tbutyl  
1156 CH2CH(CH3)2 Isobutyl radical isobutyl  
1157 CH3CHCH2CH3 2-Butyl radical butyl2  
1158 CH3CH(CH3)CH3 Isobutane isobutane  
1159 CH3CH2CH2CH3 Butane butane  
1160 SiH(CH3)3 trimethylsilane trimsi  
1161 Li3N trilithium nitride li3n  
1162 C2N2 Cyanogen c2n2  
1163 C2N2+ Cyanogen cation c2n2+  
1164 P4 Phosphorus tetramer p4  
1165 As4 Arsenic tetramer as4  
1166 HCCCN Cyanoacetylene hcccn  
1167 HCCCN+ Cyanoacetylene cation hcccn+  
1168 H2CNCN cyanamide, methylene ch2ncn  
1169 HNCCNH Ethenediimine hnccnh  
1170 C3H3N acrylonitrile ch2chcn  
1171 C3H3N+ acrylonitrile cation ch2chcn+  
1172 CH3N3 methyl azide ch3n3  
1173 NH2CCNH2 Diaminoacetylene daa  
1174 NH2CH2CN Aminoacetonitrile aan  
1175 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1176 C2H5CN ethyl cyanide c2h5cn  
1177 CH5N3 Guanidine guanidine  
1178 C4H6 Bicyclo[1.1.0]butane c157335  
1179 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1180 H2NCHCHNH2 diaminoethylene dae  
1181 CH6N3+ guanidinium ch6n3+  
1182 C3H7N Cyclopropylamine cpram  
1183 CH7N3 triaminomethane tam  
1184 C3H7N Azetidine azet  
1185 C4H8 cyclobutane cbutane  
1186 C2H8N2 Ethylenediamine ethdiam  
1187 CH3NHNHCH3 dimethyl hydrazine dmh  
1188 CH3CH(NH2)CH3 2-Propanamine pram2  
1189 N(CH3)3 Trimethylamine trimeam  
1190 NH2CH2CH2CH3 1-Propanamine pram1  
1191 P(CH3)3 trimethylphosphine tmp  
1192 N(SiH3)3 trisilylamine tsa  
1193 As(CH3)3 trimethyl arsine tmas  
1194 (CH3)3NH+ protonated trimethyl amine ptma  
1195 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1196 Li2O2 dilithium dioxide li2o2  
1197 Na2O2 disodium dioxide na2o2  
1198 K2O2 dipotassium dioxide k2o2  
1199 C3O Tricarbon monoxide c3o  
1200 B2O2 Diboron dioxide b2o2  
1201 ONNO NO dimer onno  
1202 S2N2 Disulfur dinitride s2n2  
1203 CO3 Carbon trioxide co3  
1204 CO3-- carbonate co3--  
1205 CS3-- Carbonotrithioate cs3--  
1206 NO3 Nitrogen trioxide no3  
1207 NO3- nitrate anion no3-  
1208 NO3+ nitrogen trioxide cation no3+  
1209 SO3 Sulfur trioxide so3  
1210 SO3- Sulfur trioxide anion so3-  
1211 SO3-- Sulfate dianion so3--  
1212 SO3+ Sulfur trioxide cation so3+  
1213 SeO3 selenium trioxide seo3  
1214 S4 Sulfur tetramer s4  
1215 TeO3 Tellurium trioxide teo3  
1216 HCO3- bicarbonate anion hco3-  
1217 HNO3 Nitric acid hno3  
1218 HSO3 Hydroxysulfonyl radical hso3  
1219 NH2NO2 nitramide nh2no2  
1220 C2H2CO cyclopropenone c2h2co  
1221 C3H2O Propadienal c3h2o  
1222 HCCCHO 2-propynal hcccho  
1223 C2H2O2 Ethanedial c2h2o2  
1224 C2H2O2+ Ethanedial cation c2h2o2+  
1225 H2CO3 Carbonic acid h2co3  
1226 H2CS3 thiocarbonic acid h2cs3  
1227 H2NO3+ Nitric Acid, Protonated h2no3+  
1228 H2SO3 Sulfurous acid h2so3  
1229 C2H3NO Nitrosoethylene c2h3no  
1230 CH3NCO methylisocyante ch3nco  
1231 HOCH2CN cyanomethanol hoch2cn  
1232 CH3COO- acetate anion ch3coo-  
1233 CH3NO2 Methane, nitro- ch3no2  
1234 CH3ONO Methyl nitrite ch3ono  
1235 NH2COOH Carbamic acid nh2cooh  
1236 H3BO3 Boric acid h3bo3  
1237 H3AlO3 Aluminum hydroxide h3alo3  
1238 H3CO3+ carbonic acid, protonated h3co3+  
1239 C3H4O 2-Propyn-1-ol c107197  
1240 C3H4O allenol c9000071  
1241 C3H4O Cyclopropanone cpone  
1242 C3H4O Methylketene c6004440  
1243 CH2CHCHO Acrolein c3h4o  
1244 NH2CONH2 Urea urea  
1245 NH2CONH2+ Urea cation urea+  
1246 NH2CSNH2 Thiourea thiourea  
1247 C2H4O2 1,3-dioxetane c2h4o2  
1248 CH3COOH Acetic acid ch3cooh  
1249 CH3OCHO methyl formate ch3ocho  
1250 CHOCH2OH hydroxy acetaldehyde haa  
1251 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1252 NH3COOH+ protonated Carbamic acid nh3cooh+  
1253 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1254 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1255 HCOOHH2O Formic acid water dimer hcoohh2o  
1256 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1257 CH3COCH2 Acetonyl radical ch3coch2  
1258 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1259 CH3C(OH)=NH Ethaninidic acid eia  
1260 CH3CHNOH Acetaldoxime acetaldoxime  
1261 CH3CONH2 Acetamide acetamide  
1262 HCONHCH3 N-methylformamide nmfa  
1263 CH3CSNH2 Ethanethioamide ch3csnh2  
1264 CH5N2O+ urea, N-protonated ch4n2o+  
1265 H2NCOHNH2+ urea, protonated ureah+  
1266 C2H5OO ethylperoxy radical c2h5oo  
1267 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1268 C3H5OH Cyclopropanol cproh  
1269 C3H6O 2-Propen-1-ol c107186  
1270 C3H6O Acetone enol enol  
1271 C3H6O Oxetane oxetane  
1272 C3H6O Propylene oxide prox  
1273 CH3CH2CHO Propanal propanal  
1274 CH3COCH3 Acetone acetone  
1275 CH3COCH3- acetone anion ch3coch3-  
1276 C3H6S Thietane thietane  
1277 C3H6S Thiirane, methyl- methiirane  
1278 CH3CSCH3 Thioacetone ch3csch3  
1279 C2H6O2 1,2-Ethanediol ethdiol  
1280 CH3OOCH3 dimethylperoxide dmp  
1281 CH3SOCH3 Dimethyl sulfoxide dmso  
1282 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1283 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1284 CH3COHCH3+ acetone, protonated acetoneh+  
1285 HOCH2CH2NH2 monoethanolamine mea  
1286 C3H7OH 1-Propanol proh  
1287 CH3CHOHCH3 Isopropyl alcohol isoproh  
1288 CH3OC2H5 Ethane, methoxy- etome  
1289 C3H7SH 1-Propanethiol prsh  
1290 CH3CHSHCH3 2-Propanethiol isoprsh  
1291 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1292 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1293 Li2F2 Lithium fluoride dimer li2f2  
1294 Na2F2 Sodium Fluoride Dimer na2f2  
1295 Na2Cl2 Disodium dichloride na2cl2  
1296 C2F2 difluoroacetylene c2f2  
1297 C2Cl2 dichloroacetylene c2cl2  
1298 C2Cl2+ dichloroacetylene cation c2cl2+  
1299 FNO2 Nitryl fluoride fno2  
1300 FONO Nitrosyl hypofluorite fono  
1301 ClNO2 Nitryl chloride clno2  
1302 ClONO chlorine nitrite clono  
1303 BrONO Bromine nitrite brono  
1304 N2F2 (Z)-Difluorodiazene n2f2_z  
1305 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1306 CF2O Carbonic difluoride f2co  
1307 CF2O+ Carbonic difluoride cation f2co+  
1308 COFCl Carbonic chloride fluoride cofcl  
1309 CCl2O Phosgene cl2co  
1310 Cl2CS Thiophosgene cl2cs  
1311 COBr2 Carbonic dibromide cobr2  
1312 BF3- Borane, trifluoro- anion bf3-  
1313 BF3+ boron trifluoride cation bf3+  
1314 BClF2 Chlorodifluoroborane bclf2  
1315 AlF2Cl Aluminum chloride difluoride alclf2  
1316 ScF3 Scandium trifluoride ScF3  
1317 AlFCl2 Aluminum dichloride fluoride alcl2f  
1318 BCl3 Borane, trichloro- bcl3  
1319 BCl3+ Boron Trichloride cation bcl3+  
1320 GaF3 Gallium trifluoride gaf3  
1321 AlCl3 Aluminum trichloride alcl3  
1322 GaCl3 Gallium trichloride gacl3  
1323 BBr3 Boron tribromide bbr3  
1324 AlBr3 Aluminum Bromide albr3  
1325 ClO3 Chlorine trioxide clo3  
1326 ClO3- chlorate anion clo3-  
1327 BrO3- Bromate anion bro3-  
1328 CF3 Trifluoromethyl radical cf3  
1329 CF3- Trifluoromethyl anion cf3-  
1330 CF3+ Trifluoromethyl cation cf3+  
1331 CF2Cl difluorochloromethyl radical cf2cl  
1332 SiF3 Silicon trifluoride radical sif3  
1333 SiF3+ Silicon trifluoride cation sif3+  
1334 CFCl2 dichlorofluoromethyl radical cfcl2  
1335 CCl3 Trichloromethyl radical ccl3  
1336 CCl3- Trichloromethyl anion ccl3-  
1337 CCl3+ Trichloromethyl cation ccl3+  
1338 SiCl3 trichlorosilyl radical sicl3  
1339 SiCl3+ trichlorosilyl cation sicl3+  
1340 CBr3 tribromomethyl radical cbr3  
1341 FOOF Perfluoroperoxide foof  
1342 ClO2F Chloryl fluoride clo2f  
1343 F2SO Thionyl Fluoride f2so  
1344 ClOOCl Dichlorine dioxide cloocl  
1345 FSSF Difluorodisulfane fssf  
1346 S2F2 Thio-thionyl fluoride s2f2  
1347 SOCl2 thionyl chloride socl2  
1348 SSCl2 Thiothionyl chloride sscl2  
1349 SeOCl2 selenium oxychloride seocl2  
1350 NF3 Nitrogen trifluoride nf3  
1351 NF3- Nitrogen trifluoride anion nf3-  
1352 NF3+ Nitrogen trifluoride cation nf3+  
1353 PF3 Phosphorus trifluoride pf3  
1354 NCl3 nitrogen trichloride ncl3  
1355 AsF3 Arsenic trifluoride asf3  
1356 PCl3 Phosphorus trichloride pcl3  
1357 SbF3 Antimony Trifluoride sbf3  
1358 AsCl3 Arsenous trichloride ascl3  
1359 SbCl3 Antimony Trichloride sbcl3  
1360 NBr3 Nitrogen Tribromide nbr3  
1361 PBr3 Phosphorus tribromide pbr3  
1362 AsBr3 Arsenic tribromide asbr3  
1363 NI3 Nitrogen triiodide ni3  
1364 PI3 Phosphorus triiodide pi3  
1365 ClSSCl Disulfur dichloride s2cl2  
1366 SF3 Sulfur trifluoride sf3  
1367 ClF3 Chlorine trifluoride clf3  
1368 BrF3 Bromine trifluoride brf3  
1369 IF3 iodone trifluoride if3  
1370 HClO3 Chloric Acid hclo3  
1371 CHF3 Methane, trifluoro- chf3  
1372 CHF2Cl difluorochloromethane chf2cl  
1373 SiHF3 trifluorosilane sihf3  
1374 CHFCl2 fluorodichloromethane chfcl2  
1375 CDCl3 trichloromethane-d cdcl3  
1376 CHCl3 Chloroform chcl3  
1377 CHBrF2 Methane, bromodifluoro- chbrf2  
1378 SiHCl3 Trichlorosilane sihcl3  
1379 CHFClBr fluorochlorobromomethane chfclbr  
1380 CHBrCl2 Methane, bromodichloro- chbrcl2  
1381 CHF2I difluoroiodomethane chf2i  
1382 CHBr2F dibromofluoromethane chbr2f  
1383 CHFClI fluorochloroiodomethane chfcli  
1384 CHCl2I dichloroiodomethane chcl2i  
1385 CHClBr2 Methane, dibromochloro- chclbr2  
1386 CHBr3 bromoform chbr3  
1387 CHI3 Iodoform chi3  
1388 NF3H+ protonated nitrogen trifluoride nf3h+  
1389 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1390 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1391 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1392 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1393 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1394 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1395 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1396 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1397 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1398 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1399 C2H2Br2 1,1-dibromoethene c2h2br2  
1400 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1401 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1402 CH2FCHO Fluoroacetaldehyde ch2fcho  
1403 CH3COF Acetyl fluoride ch3cof  
1404 CH2ClCHO chloroacetaldehyde ch2clcho  
1405 CH3COCl Acetyl Chloride ch3cocl  
1406 C2H4F2 1,2-difluoroethane c2h4f2  
1407 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1408 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1409 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1410 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1411 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1412 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1413 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1414 CH2CFCH3 2-fluoropropene 2fpro  
1415 CH2CHCH2F Allyl Fluoride allylf  
1416 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1417 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1418 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1419 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1420 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1421 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1422 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1423 CH2FCH2CH3 1-Fluoropropane prf1  
1424 CH3CHFCH3 2-Fluoropropane prf2  
1425 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1426 CH3CHClCH3 Propane, 2-chloro- prcl2  
1427 CH3CH2CH2Br n-propyl bromide prbr  
1428 CH3CHBrCH3 i-propyl bromide iprbr  
1429 C3H9O+ trimethyl oxonium cation c3h9o+  
1430 B5H9 pentaborane9 b5h9  
1431 C5H4 pentatetraene ptrene  
1432 C5H5 cyclopentadienyl radical c5h5  
1433 C5H5- cylopentadienyl anion c5h5-  
1434 C5H6 1,3-Cyclopentadiene c542927  
1435 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1436 C5H6 3-Penten-1-yne, (E)- c2004695  
1437 C5H6 3-Penten-1-yne, (Z)- c1574409  
1438 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1439 C5H6 Cyclopropylacetylene c6746947  
1440 C5H6 Propellane propellane  
1441 C5H7 1,3-pentadienyl radical pdyl  
1442 C5H7 cyclopentenyl radical cpyl  
1443 C5H8 1,2-Butadiene, 3-methyl- c598254  
1444 C5H8 1,2-Pentadiene c591957  
1445 C5H8 1,3-Butadiene, 2-methyl- c78795  
1446 C5H8 1,3-Pentadiene, (E)- c2004708  
1447 C5H8 1,3-Pentadiene, (Z)- c1574410  
1448 C5H8 1,4-Pentadiene c591935  
1449 C5H8 1-pentyne a1pentyne  
1450 C5H8 2,3-Pentadiene c591968  
1451 C5H8 Bicyclo[1.1.1]pentane bcp  
1452 C5H8 Cyclobutane, methylene- c1120565  
1453 C5H8 Cyclopentene c142290  
1454 C5H8 Ethenylcyclopropane c693867  
1455 CH3CCCH2CH3 2-Pentyne 2pentyne  
1456 C5H10 1-Butene, 2-methyl- c563462  
1457 C5H10 2-Butene, 2-methyl- c513359  
1458 C5H10 2-Pentene, (E)- c646048  
1459 C5H10 2-Pentene, (Z)- c627203  
1460 C5H10 Cyclopentane c287923  
1461 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1462 CH2CHCH2CH2CH3 1-pentene pentene  
1463 C5H11 2-Methylbut-2-yl radical c4348350  
1464 C5H12 Butane, 2-methyl- buta2  
1465 C5H12 Pentane pentane  
1466 C5H12 Propane, 2,2-dimethyl- neopentane  
1467 Si(CH3)4 tetramethylsilane tms  
1468 N2O3 Dinitrogen trioxide n2o3  
1469 C3H2N2 Malononitrile c3h2n2  
1470 CH2N4 1H-Tetrazole 1htz  
1471 C3H3N2 imidazolyl radical im  
1472 C3H3N2- imidizolyl anion im-  
1473 C2H3N3 1H-1,2,4-Triazole c288880  
1474 C4H4N pyrrolide radical c4h4n  
1475 C4H4N- pyrrolide anion c4h4n-  
1476 C3H4N2 1H-Imidazole 1himidaz  
1477 C3H4N2 1H-Pyrazole 1hpyraz  
1478 C3H4N2 2H-Imidazole imid2h  
1479 C3H4N2 4H-Imidazole imid4h  
1480 C4H5N (E)-2-Butenenitrile c627269  
1481 C4H5N (Z)-2-Butenenitrile c1190767  
1482 C4H5N 2H-pyrrole pyrrole2  
1483 C4H5N 3H-pyrrole pyrrole3  
1484 C4H5N Cyclopropanecarbonitrile c5500210  
1485 C4H5N Pyrrole pyrrole  
1486 CH2CHCH2CN Allylcyanide ch2chch2cn  
1487 C4H6N+ pyrrole, alpha-protonated appyr  
1488 C4H6N+ pyrrole, beta-protonated bppyr  
1489 C4H6N+ pyrrole, protonated ppyr  
1490 C3H6N2 3-Aminopropionitrile c151188  
1491 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1492 CH3CH2CH2CN Butanenitrile c109740  
1493 C5H8 Bicyclo[2.1.0]pentane c185944  
1494 C5H8 Spiropentane c157404  
1495 C4H9N Cyclobutylamine cbam  
1496 C4H9N Pyrrolidine pyrrolidine  
1497 C3H10N2 1,2-Diaminopropane diampr12  
1498 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1499 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1500 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1501 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1502 NH(C2H5)2 diethylamine dea  
1503 NC4H12+ tetramethyl ammonium cation nc4h12+  
1504 C3O2 Carbon suboxide c3o2  
1505 C3O2+ Carbon suboxide cation c3o2+  
1506 B2O3 diboron trioxide b2o3  
1507 MgCO3 Magnesium Carbonate mgco3  
1508 BeCO3 Beryllium Carbonate beco3  
1509 ONONO Nitrosyl nitrite onono  
1510 PO4--- phosphate po4---  
1511 SO4-- sulfate so4--  
1512 HOONO2 peroxy nitric acid hoono2  
1513 HSO4- bisulfate anion hso4-  
1514 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1515 C3H2O2 Propiolic acid c3h2o2  
1516 CHOCOOH oxo acetic acid oaa  
1517 CHOOCHO diformyl ether choocho  
1518 H2SO4 Sulfuric acid h2so4  
1519 H2SeO4 Selenic acid h2seo4  
1520 C3H3NO Isoxazole isox  
1521 C3H3NO Oxazole oxazole  
1522 C3H3NS Thiazole thiazole  
1523 CH3C(O)OO acetyl peroxy radical ch3coo2  
1524 CH3NO3 Methyl nitrate ch3no3  
1525 H3PO4 Phosphoric Acid h3po4  
1526 C4H4O Furan furan  
1527 C4H4O+ Furan cation furan+  
1528 CH3COCCH 3-butyn-2-one c1423605  
1529 C4H4S Thiophene furans  
1530 C4H4Se selenophene c4h4se  
1531 C3H4O2 β–Propiolactone beta  
1532 C3H4O2 2-Propenoic acid propenoic2  
1533 C3H4O2 Methyl glyoxal megly  
1534 C3H4O2 propanedial propanedial  
1535 C3H4O2 propenalol propenalol  
1536 HOCHCCHOH allenediol aldiol  
1537 C2H4O3 1,2,3-trioxolane c2h4o3  
1538 C2H4O3 trioxolane124 triox  
1539 HOCH2COOH Hydroxyacetic acid hac  
1540 CH2CHCONH2 Acrylamide c79061  
1541 CH3OCH2CN Methoxyacetonitrile c1738369  
1542 CH5N3S Hydrazinecarbothioamide c79196  
1543 H2NCH2COOH Glycine glycine  
1544 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1545 C4H6O cis-2-butenal butenal2c  
1546 C4H6O Cyclobutanone cbutone  
1547 C4H6O Furan, 2,3-dihydro- furan23h  
1548 C4H6O Furan, 2,5-dihydro- furan25h  
1549 CH2CHOCHCH2 Vinyl ether vinylether  
1550 CHOCHCHCH3 2-Butenal butenal2  
1551 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1552 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1553 CH2CHSCHCH2 Divinyl sulfide divis  
1554 C2H6N2O Urea, methyl- c598505  
1555 C3H6O2 1,3-Dioxolane dioxolane  
1556 CH3CH2COOH Propanoic Acid propanoic  
1557 CH3COOCH3 methyl acetate aame  
1558 HCOOC2H5 Ethyl formate faee  
1559 C2H6O2S Dimethyl sulfone c67710  
1560 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1561 C3H7NO dimethylformamide dmf  
1562 C3H7NO Propanamide propanam  
1563 C2H3OC2H5 Ethene, ethoxy- c109922  
1564 C4H8O Cyclobutanol c2919235  
1565 C4H8O Furan, tetrahydro- thf  
1566 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1567 CH3COCH2CH3 2-Butanone buta2one  
1568 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1569 CHOCH2CH2CH3 Butanal butanal  
1570 C4H8S Thiophene, tetrahydro- tht  
1571 C3H8O2 1,3-Propanediol c504632  
1572 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1573 C3H8O2 Methane, dimethoxy- c109875  
1574 C3H8O2 Propylene glycol c57556  
1575 C3H8S2 1,3-Propanedithiol c109808  
1576 C4H10O 1-Butanol butanol1  
1577 C4H10O 1-Propanol, 2-methyl- c78831  
1578 C4H10O 2-Butanol, (.+/-.)- butanol2  
1579 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1580 C4H10O Ethoxy ethane etoet  
1581 C4H10O Methyl propyl ether meopr  
1582 C4H10O Propane, 2-methoxy- c598538  
1583 C4H10O+ 1-Butanol cation butanol1+  
1584 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1585 C2H5SC2H5 Diethyl sulfide etset  
1586 C4H9SH 1-Butanethiol bush  
1587 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1588 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1589 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1590 FNO3 Fluorine nitrate fno3  
1591 ClONO2 Chlorine nitrate clono2  
1592 BrONO2 Bromine nitrate brono2  
1593 TiCl4 Titanium tetrachloride ticl4  
1594 ClO4- perchlorate anion clo4-  
1595 BF4- tetrafluoroboron anion bf4-  
1596 ClFO3 Perchloryl fluoride clfo3  
1597 SO2F2 Sulfuryl fluoride so2f2  
1598 SO2Cl2 Sulfuryl chloride so2cl2  
1599 F3NO Nitrogen trifluoride oxide f3no  
1600 F3PO Phosphoryl fluoride pf3o  
1601 Cl3PO Phosphoryl chloride pcl3o  
1602 CF4 Carbon tetrafluoride cf4  
1603 CF3Cl Methane, chlorotrifluoro- cf3cl  
1604 SiF4 Silicon tetrafluoride sif4  
1605 CF2Cl2 difluorodichloromethane cf2cl2  
1606 TiF4 Titanium tetrafluoride tif4  
1607 CFCl3 Trichloromonofluoromethane cfcl3  
1608 CF3Br Bromotrifluoromethane cf3br  
1609 GeF4 Germanium tetrafluoride gef4  
1610 CCl4 Carbon tetrachloride ccl4  
1611 CCl4+ Carbon tetrachloride cation ccl4+  
1612 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1613 SiCl4 Silane, tetrachloro- sicl4  
1614 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1615 CF3I trifluoroiodomethane cf3i  
1616 CBrCl3 Methane, bromotrichloro- cbrcl3  
1617 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1618 GeCl4 Germanium Tetrachloride gecl4  
1619 CBr2ClF dibromochlorofluoromethane cbr2clf  
1620 CBr2Cl2 dibromodichloromethane cbr2cl2  
1621 CCl3I trichloroiodomethane ccl3i  
1622 CFBr3 fluorotribromomethane cfbr3  
1623 CFClBrI fluorochlorobromoiodomethane cfclbri  
1624 CBr3Cl tribromochloromethane cbr3cl  
1625 CF2I2 difluorodiiodomethane cf2i2  
1626 CBr4 Carbon tetrabromide cbr4  
1627 CCl2I2 dichlorodiiodomethane ccl2i2  
1628 SiBr4 Silicon tetrabromide sibr4  
1629 CBr3I tribromoiododmethane cbr3i  
1630 GeBr4 Germanium tetrabromide gebr4  
1631 CI4 tetraiodomethane ci4  
1632 SiI4 silicon tetraiodide sii4  
1633 ClOF3 Chlorine trifluoride oxide clof3  
1634 SF4 Sulfur tetrafluoride sf4  
1635 SeF4 Selenium tetrafluoride sef4  
1636 SCl4 Sulfur tetrachloride scl4  
1637 C2HF3 Trifluoroethylene c2hf3  
1638 C2HF3+ Trifluoroethylene cation c2hf3+  
1639 CHClCCl2 Trichloroethylene chclccl2  
1640 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1641 HClO4 perchloric acid hclo4  
1642 HSO3F Fluorosulfonic acid hso3f  
1643 CF3OH trifluoromethanol cf3oh  
1644 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1645 CHClCCHCl 1,3-dichloroallene chclcchcl  
1646 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1647 CHCl2CHO dichloroacetaldehyde chcl2cho  
1648 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1649 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1650 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1651 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1652 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1653 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1654 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1655 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1656 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1657 NH3BCl3 Amminetrichloroboron nh3bcl3  
1658 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1659 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1660 C3H5ClO Oxirane, (chloromethyl)- c106898  
1661 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1662 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1663 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1664 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1665 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1666 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1667 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1668 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1669 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1670 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1671 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1672 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1673 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1674 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1675 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1676 C4H9F 1-fluorobutane butaf1  
1677 CH3CHFCH2CH3 2-fluorobutane butaf2  
1678 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1679 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1680 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1681 XeF4 Xenon tetrafluoride xef4  
1682 C2H2N2O Furazan furazan  
1683 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1684 NH3BF3 Amminetrifluoroboron nh3bf3  
1685 C6H2 hexatriyne c6h2  
1686 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1687 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1688 C6H4 Benzyne benzyne  
1689 C6H5 phenyl phenyl  
1690 C6H5- phenyl anion phenyl-  
1691 C6H6 Prismane prismane  
1692 C6H6 1,2,4,5-Hexatetraene ht1245  
1693 C6H6 2,4-Hexadiyne hexadiyne  
1694 C6H6 3,4-Dimethylenecyclobutene cb34m  
1695 C6H6 Benzene benzene  
1696 C6H6 Benzvalene bv  
1697 C6H6 Dewar Benzene dewar  
1698 C6H6 Hexa-1,5-diene-3-yne hdy153  
1699 C6H6 Trimethylenecycopropane tmcp  
1700 C6H6+ Benzene cation c6h6+  
1701 C6H7+ benzene, protonated c6h7+  
1702 C6H8 (E)-hexa-1,3,5-triene c821078  
1703 C6H8 (E)-hexa-2,3,4-triene c59660650  
1704 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1705 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1706 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1707 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1708 C6H8 3-Methylenecyclopentene c930267  
1709 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1710 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1711 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1712 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1713 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1714 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1715 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1716 C6H10 1,5-Hexadiene c592427  
1717 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1718 C6H10 1-Hexyne hexyne1  
1719 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1720 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1721 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1722 C6H10 2-Hexyne c764352  
1723 C6H10 3-Hexyne hexyne3  
1724 C6H10 cyclohexene cyclohexene  
1725 C6H10 Cyclopentene, 1-methyl- c693890  
1726 C6H10 Cyclopentene, 3-methyl- c1120623  
1727 C6H10 Cyclopentene, 4-methyl- c1759815  
1728 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1729 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1730 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1731 C6H12 (E)-2-Hexene e2hexene  
1732 C6H12 (E)-3-methylpent-2-ene c616126  
1733 C6H12 (E)-hex-3-ene e3hexene  
1734 C6H12 (Z)-3-methylpent-2-ene c922623  
1735 C6H12 (Z)-hex-2-ene z2hexene  
1736 C6H12 (Z)-hex-3-ene z3hexene  
1737 C6H12 2,3-dimethylbut-1-ene c563780  
1738 C6H12 2,3-dimethyl-but-2-ene tmeet  
1739 C6H12 3-methylenepentane c760214  
1740 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1741 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1742 C6H12 Cyclohexane cyclohexane  
1743 C6H12 Cyclopentane, methyl- c96377  
1744 C6H12 Ethylcyclobutane c4806615  
1745 C6H12 hex-1-ene hexene1  
1746 C6H14 Butane, 2,2-dimethyl- buta22  
1747 C6H14 Butane, 2,3-dimethyl- buta23  
1748 C6H14 Hexane hexane  
1749 C6H14 Pentane, 2-methyl- penta2  
1750 C6H14 Pentane, 3-methyl- penta3  
1751 C4N2 2-Butynedinitrile c4n2  
1752 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1753 C4H2N2 Fumaronitrile c4h2n2  
1754 C2H2N4 sym-tetrazine ttz  
1755 C3H3N3 1,3,5-Triazine triazine135  
1756 CH3N5 5-Aminotetrazole c4418615  
1757 C4H4N2 1,3-Diazine diazine13  
1758 C4H4N2 Pyrazine pyrazine  
1759 C4H4N2 Pyridazine pyridazine  
1760 C4H4N2 Succinonitrile c110612  
1761 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1762 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1763 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1764 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1765 C5H5N E-2,4-pentadienenitrile bdcn  
1766 C5H5N Pyridine pyridine  
1767 B3N3H6 borazine borazine  
1768 C6H6 Fulvene fulvene  
1769 C5H6N+ Pyridinium c5h6n  
1770 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1771 C5H7N (E)-2-Pentenenitrile c26294984  
1772 C5H7N (E)-3-Pentenenitrile c16529661  
1773 C5H7N (Z)-2-Pentenenitrile c25899507  
1774 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1775 C5H7N Cyclobutanecarbonitrile c4426113  
1776 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1777 C5H9N Butanenitrile, 2-methyl- c18936179  
1778 C5H9N Pentanenitrile c110598  
1779 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1780 C6H10 Bicyclo[3.1.0]hexane c285585  
1781 C5H11N Cyclopentanamine cypentam  
1782 C5H11N Piperidine piper  
1783 C4H12N2 1,2-Butanediamine c4426486  
1784 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1785 Li2CO3 Lithium Carbonate li2co3  
1786 Na2CO3 Sodium Carbonate na2co3  
1787 C2O4-- oxalate anion c2o4  
1788 MgSO4 Magnesium Sulfate mgso4  
1789 N2O4 Dinitrogen tetroxide n2o4  
1790 C3H2O3 vinylene carbonate vica  
1791 C2H2O4 Oxalic Acid oxalic  
1792 C2H3NO3 Oxamic acid oxamic  
1793 C4H4O2 2(5H)-Furanone furanone  
1794 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1795 C2H4N2O2 Oxalamide oxalamide  
1796 C2H4N2S2 Ethanedithioamide c79403  
1797 C2H4CO3 Ethylene carbonate etco3  
1798 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1799 C3H4S3 1,3-Dithiolane-2-thione c822388  
1800 C2H4O4 Formic acid dimer fadimer  
1801 C4H5NO 3-Methylisoxazole isox3m  
1802 C4H5NO Isoxazole, 5-methyl- c5765446  
1803 C4H5NS 4-Methylthiazole c693958  
1804 C2H5NO3 Nitric acid, ethyl ester c625581  
1805 C5H6O 2H-Pyran pyran2  
1806 C5H6O 2-methylfuran furan2m  
1807 C5H6O 3-Methylfuran furan3m  
1808 C5H6O Pentadienal pdal  
1809 C5H6S Thiophene, 2-methyl- c554143  
1810 C5H6S Thiophene, 3-methyl- c616444  
1811 C4H6O2 γ–Butyrolactone c96480  
1812 C4H6O2 2,3-Butanedione c431038  
1813 C4H6O2 2-Propenoic acid, methyl ester c96333  
1814 C4H6O2 Crotonic Acid crot  
1815 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1816 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1817 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1818 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1819 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1820 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1821 C4H6OS Vinyl sulfoxide c1115157  
1822 CH6N4S Carbonothioic dihydrazide thiacarb  
1823 C2H6N2O2 (E)-Azodioxymethane c37765154  
1824 C2H6N2O2 Dimethylnitroamine c4164287  
1825 C3H6O3 1,3,5-Trioxane trioxane  
1826 C3H6S3 1,3,5-Trithiane c3h6s3  
1827 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1828 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1829 C4H7NO 2-Pyrrolidinone c616455  
1830 C4H7NO Ethoxyacetonitrile etoaccn  
1831 C4H7NO Methacrylamide c79390  
1832 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1833 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1834 C3H7ONO Propyl nitrite prono  
1835 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1836 CH3CH(NH2)COOH Alanine alanine  
1837 CH3NHCH2COOH Sarcosine sarcosine  
1838 NH2CH2CH2COOH β–alanine betaalanine  
1839 NH2COOC2H5 Urethane urethane  
1840 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1841 C5H8O Cyclopentanone c120923  
1842 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1843 C5H8O Methyl cyclopropyl ketone c765435  
1844 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1845 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1846 NH2CONHC2H5 Urea, ethyl- c625525  
1847 C4H8O2 1,3-Dioxane dioxan13  
1848 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1849 C4H8O2 1,4-Dioxane dioxan14  
1850 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1851 C4H8O2 Ethyl acetate c141786  
1852 C4H8OS s-Ethyl thioacetate c625605  
1853 C3H8O3 1,2,3-Propanetriol glycerin  
1854 C3H8O2S (Methylsulfonyl)ethane c594434  
1855 C4H9NO Butanamide c541355  
1856 C4H9NO Propanamide, 2-methyl- c563837  
1857 C5H10O 2-Butanone, 3-methyl- c563804  
1858 C5H10O 2H-Pyran, tetrahydro- c142687  
1859 C5H10O 2-methylbutyraldehyde 2meba  
1860 C5H10O 2-Pentanone mpk  
1861 C5H10O 3-Pentanone dek  
1862 C5H10O Cyclopentanol c96413  
1863 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1864 C5H10O Pentanal pal  
1865 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1866 C5H10S 3-Ethylthio-1-propene c5296628  
1867 C5H10S Cyclopentanethiol c1679078  
1868 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1869 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1870 C4H10O2 1,1-Dimethoxyethane c534156  
1871 C4H10O2 1,3-Butanediol budiol13  
1872 C4H10O2 1,4-Butanediol budiol14  
1873 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1874 C4H10OS Diethyl sulfoxide c70291  
1875 C4H10S2 1,4-Butanedithiol budisl14  
1876 C4H11NO Diethylhydroxylamine c3710847  
1877 C5H12O 1-Butanol, 2-methyl- c137326  
1878 C5H12O 1-Butanol, 3-methyl- c123513  
1879 C5H12O 1-Pentanol pentanol1  
1880 C5H12O 2-Butanol, 3-methyl- c598754  
1881 C5H12O 2-Pentanol peol2  
1882 C5H12O 3-Pentanol pentan3ol  
1883 C5H12O Butane, 1-methoxy- meobu  
1884 C5H12O Propane, 1-ethoxy- proet  
1885 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1886 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1887 C5H12S 1-Butanethiol, 3-methyl- c541311  
1888 C5H12S 1-Pentanethiol c110667  
1889 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1890 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1891 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1892 C5H12S Butane, 1-(methylthio)- c628295  
1893 C5H12S Ethyl propyl sulfide c4110503  
1894 C5H12S Propane, 2-(ethylthio)- c5145993  
1895 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1896 C4F2 difluorobutadiyne c4f2  
1897 ClCOClCO Oxalyl chloride oxcl  
1898 CF3CN Acetonitrile, trifluoro- cf3cn  
1899 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1900 B2F4 Diboron tetrafluoride b2f4  
1901 B2Cl4 Diboron tetrachloride b2cl4  
1902 C2F4 Tetrafluoroethylene c2f4  
1903 C2F4+ Tetrafluoroethylene cation c2f4+  
1904 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1905 CF2CCl2 difluorodichloroethylene cf2ccl2  
1906 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1907 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1908 C2FCl3 fluorotrichloroethene c2fcl3  
1909 C2Cl4 Tetrachloroethylene c2cl4  
1910 C2Br4 tetrabromoethene c2br4  
1911 CF3OF Trifluoromethylhypofluorite cf3of  
1912 SiF5- silicon pentafluoride anion sif5-  
1913 SOF4 Sulfur tetrafluoride oxide sof4  
1914 PF5 Phosphorus pentafluoride pf5  
1915 AsF5 Arsenic pentafluoride asf5  
1916 PCl5 Phosphorus pentachloride pcl5  
1917 SF5 Sulfur pentafluoride sf5  
1918 SF5+ pentafluoro sulfur cation sf5+  
1919 SbCl5 Antimony pentachloride sbcl5  
1920 BrF5 bromine pentafluoride brf5  
1921 ClF5 chlorinepentafluoride clf5  
1922 IF5 pentafluoroiodine if5  
1923 CF3CHO trifluoroacetaldehyde cf3cho  
1924 CCl3CHO trichloroacetaldehyde ccl3cho  
1925 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1926 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1927 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1928 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1929 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1930 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1931 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1932 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1933 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1934 CF3COOH trifluoroacetic acid cf3cooh  
1935 C4H3ClO Furan, 2-chloro fur2cl  
1936 C4H3ClO Furan,3-chloro fur3cl  
1937 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1938 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1939 C4H8Cl2 1,4-Dichlorobutane c110565  
1940 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1941 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1942 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1943 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1944 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1945 C5H11Cl Pentane, 1-chloro- pencl1  
1946 C4H8O2 Butanoic acid bua  
1947 C6H5CH2 benzyl radical benzyl  
1948 C7H7 cycloheptatrienyl radical c7h7  
1949 C7H7+ cycloheptatrienyl cation c7h7+  
1950 C6H5CH3 toluene toluene  
1951 C7H8 cycloheptatriene cht  
1952 C7H8 Norbornadiene norbor  
1953 C7H8 Quadricyclane qucy  
1954 C7H12 Norbornane nor  
1955 C7H14 cycloheptane c7h14  
1956 C7H16 2-methylhexane 2mhex  
1957 C7H16 3-methylhexane hex3m  
1958 C7H16 heptane heptane  
1959 CH(CN)3 tricyanomethane mecn3  
1960 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1961 C6H7N 2-Methylpyridine mp  
1962 C6H5NH2 aniline aniline  
1963 C6H13N 2-Methylpiperidine pip2m  
1964 C6H13N cyclohexanamine cham  
1965 C6H15N triethylamine tea  
1966 N2O5 Dinitrogen pentoxide n2o5  
1967 C4H2O3 Maleic Anhydride malan  
1968 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1969 C5H4O2 furfural furfural  
1970 C6H5O phenoxy radical phenoxy  
1971 C5H5NO 2(1H)-Pyridinone c72762006  
1972 C5H5NO 2(3H)-Pyridinone c9000048  
1973 C5H5NO 2(5H)-Pyridinone c9000037  
1974 C5H5NO 2-Pyridinol c109104  
1975 C5H5NO 3(2H)-Pyridinone c9000004  
1976 C5H5NO 3(4H)-Pyridinone c9000026  
1977 C5H5NO 3(6H)-Pyridinone c9000015  
1978 C5H5NO 3-Pyridinol c109002  
1979 C5H5NO 4(1H)-Pryidinone c9000060  
1980 C5H5NO 4(3H)-Pryidinone c9000059  
1981 C5H5NO 4-Pyridinol c626642  
1982 C6H5OH phenol phenol  
1983 C6H6O 2,4-Cyclohexadienone c24599573  
1984 C6H6O 2,5-Cyclohexadienone c5664335  
1985 C6H5SH Benzenethiol phsh  
1986 HO2CCHNH2CH2OH Serine serine  
1987 C5H8O2 Acetylacetone acac  
1988 C4H8O2S Sulfolane sulfolane  
1989 C7H10 Norbornene norbornene  
1990 CH(C2H3)3 trivinyl methane tvm  
1991 C6H10O cyclohexanone chexo  
1992 C6H12O hexanal c6h12o  
1993 C6H12O Oxepane oxepane  
1994 C3H7OC3H7 di-n-propyl ether propr  
1995 F2CCCF2 tetrafluoroallene pfa  
1996 CF3COO- trifluoro acetate anion cf3coo-  
1997 CF3COF trifluoroacetyl fluoride cf3cof  
1998 CF3COCl trifluoroacetyl chloride cf3cocl  
1999 PF6 Hexafluorophosphate neutral pf6  
2000 PF6- Hexafluorophosphate ion pf6-  
2001 SF6 Sulfur Hexafluoride sf6  
2002 SeF6 Selenium hexafluoride sef6  
2003 SF5Cl sulfur chloropentafluoride sf5cl  
2004 CF3CHF2 pentafluoroethane cf3chf2  
2005 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2006 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2007 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2008 CCl3CHCl2 pentachloroethane ccl3chcl2  
2009 C6H5F Fluorobenzene bzf  
2010 C6H5Cl chlorobenzene bzcl  
2011 C6H5Br bromobenzene bzbr  
2012 C8H6 Calicene calicene  
2013 C6H5CCH phenylacetylene phac  
2014 C8H6 benzocyclobutadiene bcbd  
2015 C8H6 Pentalene pentalene  
2016 C6H5CHCH2 Styrene styrene  
2017 C8H8 cubane cubane  
2018 C8H8 cyclooctatetraene cot  
2019 C6H5CH2CH3 Ethylbenzene etbz  
2020 CH3C6H4CH3 meta-xylene mxylene  
2021 CH3C6H4CH3 paraxylene pxylene  
2022 C8H14 Bicyclo[2.2.2]octane bico222  
2023 C8H16 cyclooctane cyclooct  
2024 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2025 C8H18 Octane c8h18  
2026 C6H5CN phenyl cyanide phcn  
2027 C6H12N2 Triethylenediamine ted  
2028 C4O4-- squarate dianion c4o4--  
2029 S4N4 Tetrasulfur tetranitride s4n4  
2030 S8 Octasulfur s8  
2031 C6H4O2 parabenzoquinone pbq  
2032 C4H4N2O2 Uracil uracil  
2033 C6H5CHO benzaldehyde benzal  
2034 C6H5OCH3 Anisole anisole  
2035 C5H9NO2 Proline proline  
2036 C6H12O2 Methyl pivalate c598981  
2037 C6H12O2 Hexanoic acid hexa  
2038 C4F4 tetrafluorcyclobutadiene c4f4  
2039 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2040 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2041 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2042 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2043 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2044 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2045 C2F6 hexafluoroethane c2f6  
2046 C2Cl6 hexachloroethane c2cl6  
2047 IF7 Iodine heptafluoride if7  
2048 C6H4F2 metadifluorobenzene mdfb  
2049 C6H4F2 orthodifluorobenzene odfb  
2050 C6H4F2 1,4-difluorobenzene pdfb  
2051 C6H4Cl2 1,2-dichlorobenzene dcb12  
2052 C6H4Cl2 1,3-dichlorobenzene dcb13  
2053 C6H4Cl2 1,4-dichlorobenzene dcb14  
2054 C6H5NO nitrosobenzene bzno  
2055 C9H8 Indene indene  
2056 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2057 C9H12 n-propyl benzene prbz  
2058 C9H20 Nonane nonane  
2059 C(CN)4 tetracyanomethane c5n4  
2060 C5H4N4 purine purine  
2061 C8H7N Indole indole  
2062 C3H3N3O3 cyanuric acid cyanuric  
2063 C6H5NO2 Nitrobenzene c6h5no2  
2064 C6H5COOH benzoic acid benzo  
2065 CH3COC6H5 acetophenone acph  
2066 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2067 C3F6 hexafluoropropene c3f6  
2068 C6H3F3 Benzene trifluoride 123 bzf3a  
2069 C8H18O 1-Octanol octanol  
2070 C10H8 Azulene azu  
2071 C10H8 naphthalene naph  
2072 C10H10 bullvalene bullv  
2073 C10H16 adamantane adamantane  
2074 C6N4 Tetracyanoethylene tcne  
2075 C6N4- tetracyanoethylene anion tcne-  
2076 C10H22 Decane decane  
2077 C4F6 perfluorobutadiene c4f6  
2078 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2079 C3F8 perfluoropropane c3f8  
2080 Fe(CO)5 Iron pentacarbonyl ipc  
2081 Fe(C5H5)2 ferrocene fecp2  
2082 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2083 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2084 C12H8 Acenaphthylene acenaph  
2085 C12H8 biphenylene biph  
2086 C12H10 biphenyl biphenyl  
2087 C12H10 Heptalene heptalene  
2088 C6H12O6 Inositol inositol  
2089 C6F6 hexafluorobenzene c6f6  
2090 S2F10 disulphur decafluoride s2f10  
2091 C13H10 Fluorene fluorene  
2092 C14H10 Anthracene anth  
2093 C14H10 Phenanthrene phenanthrene  
2094 C14H14 Bibenzyl bibenzyl  
2095 C12H10N2 azobenzene azobenzene  
2096 C6H5COC6H5 benzophenone benzophenone  
2097 C16H10 Pyrene pyrene  
2098 C18H12 Tetracene tetracene  
2099 C19H16 Triphenylmethane tpm  
2100 C24H12 Coronene coronene  
2101 C60 Buckminsterfullerene c60