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List of which calculations are completed at CCSD// B3LYP/6-31G* /cc-pV(T+d)Z

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count Species Name State Conformation
1 H Hydrogen atom 1SKh
2 H+ Hydrogen atom cation  Kh
3 B Boron atom 2PKh
4 BH Boron monohydride 1ΣC∞v
5 BH2 boron dihydride 2A1C2v
6 BH3 boron trihydride 1A1'D3h
7 C Carbon atom 3P0Kh
8 CH Methylidyne 2Π1/2C∞v
9 CH2 Methylene 3B1C2v
10 CH3 Methyl radical 2A1D3h
11 CH4 Methane 1A1Td
12 NH Imidogen 3Σ-C∞v
13 ND2 Amidogen-d2 2B1C2v
14 NH2 Amino radical 2B1C2v
15 ND3 Ammonia-d3 1A1C3v
16 NH3 Ammonia 1A1C3v
17 O Oxygen atom 3SKh
18 DO Hydroxyl-d 2ΠC∞v
19 OH Hydroxyl radical 2ΠC∞v
20 D2O Deuterium oxide 1A1C2v
21 H2O Water 1A1C2v
22 HDO Water-d1 1A1C2v
23 F Fluorine atom 2PKh
24 DF Hydrofluoric acid-d 1ΣC∞v
25 HF Hydrogen fluoride 1ΣC∞v
26 C2 Carbon diatomic 1Σg+D∞h
27 C2H2 Acetylene 1ΣgD∞h
28 C2H3 vinyl 2A'Cs
29 C2H4 Ethylene 1AgD2h
30 C2H5 Ethyl radical 2A'Cs
31 C2H6 Ethane 1A1gD3d
32 CN Cyano radical 2ΣC∞v
33 N2 Nitrogen diatomic 1ΣgD∞h
34 HCN Hydrogen cyanide 1ΣC∞v
35 CH2NH Methanimine 1A'Cs
36 N2H4 Hydrazine 1AC2
37 CH3NH2 methyl amine 1A'Cs
38 BO boron monoxide 2ΣC∞v
39 CO Carbon monoxide 1ΣC∞v
40 NO Nitric oxide 2ΠC∞v
41 O2 Oxygen diatomic 3ΣgD∞h
42 HBO Boron hydride oxide 1ΣC∞v
43 HCO Formyl radical 2A'Cs
44 HNO Nitrosyl hydride 1A'Cs
45 HO2 Hydroperoxy radical 2A"Cs
46 H2CO Formaldehyde 1A1C2v
47 H2O2 Hydrogen peroxide 1AC2
48 CH2OH Hydroxymethyl radical 2AC1
49 CH3O Methoxy radical 2A'C1
50 NH2OH hydroxylamine 1A'Cs
51 CH3OH Methyl alcohol 1A'Cs
52 BF Boron monofluoride 1ΣC∞v
53 CF Fluoromethylidyne 2ΠC∞v
54 NF nitrogen fluoride 3ΣC∞v
55 FO Oxygen monofluoride 2ΠC∞v
56 F2 Fluorine diatomic 1ΣgD∞h
57 HCF Fluoromethylene 1A'Cs
58 HOF Hypofluorous acid 1A'Cs
59 CH3F Methyl fluoride 1A1C3v
60 C3 carbon trimer 1ΣgD∞h
61 C3H3 Propargyl radical 2B1Cs
62 CH2CCH2 allene 1A1D2d
63 CH3CCH propyne 1A'C3v
64 C3H6 Cyclopropane 1A1'D3h
65 CH2CHCH3 Propene 1A'Cs
66 C3H7 n-Propyl radical 2A"C1
67 C3H8 Propane 1A1C2v
68 CH3CN Acetonitrile 1A1C3v
69 C2H5N Aziridine 1A'C1
70 CH3CH2NH2 Ethylamine 1A'Cs
71 CH3NHCH3 Dimethylamine 1A'Cs
72 BO2 Boron dioxide 2A'D∞h
73 N2O Nitrous oxide 1ΣC∞v
74 CO2 Carbon dioxide 1ΣgD∞h
75 NO2 Nitrogen dioxide 2A1C2v
76 O3 Ozone 1A1Cs
77 HNCO Isocyanic acid 1A'Cs
78 HNO2 Nitrous acid 1A'Cs
79 CH2CO Ketene 1A1C2v
80 HCOOH Formic acid 1A'Cs
81 C2H4O Ethylene oxide 1A1C2v
82 CH3CHO Acetaldehyde 1A'Cs
83 CH3CH2OH Ethanol 1A'Cs
84 CH3OCH3 Dimethyl ether 1A1C2v
85 FNO Nitrosyl fluoride 1A'Cs
86 CF2 Difluoromethylene 1A1D∞h
87 FOO Dioxygen monofluoride radical 2A"Cs
88 NF2 Difluoroamino radical 2B1C2v
89 F2O Difluorine monoxide 1A1C2v
90 BHF2 Difluoroborane 1A1C2v
91 CH2F2 Methane, difluoro- 1A1C2v
92 CH2CHF Ethene, fluoro- 1A'Cs
93 C2F6 hexafluoroethane 1A1gD3d

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 h2  
7 H2- hydrogen diatomic anion h2-  
8 H2+ Hydrogen cation h2+  
9 HD Deuterium hydride hd  
10 H3+ hydrogen trimer cation h3+  
11 He Helium atom he  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li Lithium atom li  
18 Li- Lithium atom anion li-  
19 Li+ Lithium atom cation li+  
20 Na Sodium atom na  
21 Na- Sodium atom anion na-  
22 Na+ Sodium atom cation na+  
23 K Potassium atom k  
24 K- Potassium atom anion k-  
25 K+ Potassium atom cation k+  
26 Cu Copper atom cu  
27 Cu- Copper atom anion cu-  
28 Cu+ Copper atom cation cu+  
29 LiH Lithium Hydride lih  
30 LiH- lithium hydride anion lih-  
31 LiH+ lithium hydride cation lih+  
32 NaH sodium hydride nah  
33 NaH- sodium hydride anion nah-  
34 NaH+ sodium hydride cation nah+  
35 KH Potassium hydride kh  
36 KH+ Potassium hydrogen cation kh+  
37 CuH Copper monohydride cuh  
38 Be Beryllium atom be  
39 Be- Beryllium atom anion be-  
40 Be+ Beryllium atom cation be+  
41 Mg Magnesium atom mg  
42 Mg- Magnesium atom anion mg-  
43 Mg+ Magnesium atom cation mg+  
44 Ca Calcium atom ca  
45 Ca- Calcium atom anion ca-  
46 Ca+ Calcium atom cation ca+  
47 Zn Zinc atom zn  
48 Zn- Zinc atom anion zn-  
49 Zn+ Zinc atom cation zn+  
50 BeH beryllium monohydride beh  
51 BeH- berylium monohydride anion beh-  
52 BeH+ beryllium monohydride cation beh+  
53 MgH magnesium monohydride mgh  
54 MgH- magnesium monohydride anion mgh-  
55 MgH+ magnesium monohydride cation mgh+  
56 CaH Calcium monohydride cah  
57 CaH+ Calcium monohydride cation cah+  
58 TiH Titanium monohydride tih  
59 ZnH Zinc monohydride znh  
60 ZnH+ Zinc, protonated znh+  
61 BeH2 beryllium dihydride beh2  
62 BeH2+ Beryllium dihydride cation beh2+  
63 MgH2 magnesium dihydride mgh2  
64 CaH2 Calcium Hydride cah2  
65 ZnH2 Zinc hydride znh2  
66 B- Boron atom anion b-  
67 B+ Boron atom cation b+  
68 Al Aluminum atom al  
69 Al- Aluminum atom anion al-  
70 Al+ Aluminum atom cation al+  
71 Sc Scandium atom sc  
72 Sc+ Scandium cation sc+  
73 Ga Gallium atom ga  
74 Ga- Gallium atom anion ga-  
75 Ga+ Gallium atom cation ga+  
76 BH- boron monohydride anion bh-  
77 BH+ boron monohydride cation bh+  
78 AlH aluminum monohydride alh  
79 AlH- aluminum monohydride anion alh-  
80 AlH+ aluminum monohydride cation alh+  
81 ScH Scandium monohydride sch  
82 ScH+ Scandium monohydride cation sch+  
83 GaH Gallium monohydride gah  
84 GaH+ Gallium monohydride cation gah+  
85 BH2- boron dihydride anion bh2-  
86 BH2+ Boron dihydride cation bh2+  
87 AlH2 aluminum dihydride alh2  
88 AlH2- aluminum dihydride anion alh2-  
89 AlH2+ aluminum dihydride cation alh2+  
90 BH3- boron trihydride anion bh3-  
91 BH3+ boron trihydride cation bh3+  
92 AlH3 aluminum trihydride alh3  
93 AlH3- aluminum trihydride anion alh3-  
94 AlH3+ aluminum trihydride cation alh3+  
95 ScH3 Scandium trihydride sch3  
96 GaH3 Gallium trihydride gah3  
97 BH4 borohydride bh4  
98 BH4- borohydride anion bh4-  
99 AlH4- Aluminum tetrahydride anion alh4-  
100 C- Carbon atom anion c-  
101 C+ Carbon atom cation c+  
102 Si Silicon atom si  
103 Si- Silicon atom anion si-  
104 Si+ Silicon atom cation si+  
105 Ti Titanium atom ti  
106 Ti- Titanium atom anion ti-  
107 Ti+ Titanium atom cation ti+  
108 Ge Germanium atom ge  
109 Ge- Germanium anion ge-  
110 Ge+ Germanium cation ge+  
111 Sn Tin atom sn  
112 Sn+ Tin cation sn+  
113 CH- methylidyne anion ch-  
114 CH+ Methylidyne cation ch+  
115 SiH Silylidyne sih  
116 SiH- silicon monohydride anion sih-  
117 SiH+ silicon monohydride cation sih+  
118 GeH germylidene geh  
119 GeH+ Germaniun monohyrdide cation geh+  
120 CH2- methylene anion ch2-  
121 CH2+ methylene cation ch2+  
122 SiH2 silicon dihydride sih2  
123 SiH2- silicon dihydride anion sih2-  
124 SiH2+ silicon dihydride cation sih2+  
125 GeH2 germylene geh2  
126 GeH2- germylene anion geh2-  
127 CH3- methyl anion ch3-  
128 CH3+ methyl cation ch3+  
129 SiH3 Silyl radical sih3  
130 SiH3- Silyl anion sih3-  
131 SiH3+ Silyl cation sih3+  
132 GeH3 Germyl radical geh3  
133 GeH3+ germyl cation geh3+  
134 CD4 methane-d4 cd4  
135 CH2D2 methane-d2 ch2d2  
136 CH3D methane-d ch3d  
137 CH4- Methane anion ch4-  
138 CH4+ Methane cation ch4+  
139 CHD3 methane-d3 chd3  
140 SiH2D2 silane-d2 sih2d2  
141 SiH4 Silane sih4  
142 SiH4+ Silane cation sih4+  
143 GeH4 Germane geh4  
144 SnH4 Stannane snh4  
145 SiH5+ Silane, protonated sih5+  
146 N Nitrogen atom n  
147 N- Nitrogen atom anion n-  
148 N+ Nitrogen atom cation n+  
149 P Phosphorus atom p  
150 P- Phosphorus atom anion p-  
151 P+ Phosphorus atom cation p+  
152 V Vanadium atom v  
153 V+ Vanadium atom cation v+  
154 As Arsenic atomic as  
155 As- Arsenic anion as-  
156 As+ Arsenic cation as+  
157 Sb Antimony atom sb  
158 NH- Imidogen anion nh-  
159 NH+ imidogen cation nh+  
160 PH phosphorus monohydride ph  
161 PH- phosphorus monohydride anion ph-  
162 PH+ phosphorus monohydride cation ph+  
163 AsH Arsenic monohydride ash  
164 AsH+ Arsenic monohydride cation ash+  
165 SbH Antimony monohydride sbh  
166 NH2- amino anion nh2-  
167 NH2+ Amino cation nh2+  
168 PH2 Phosphino radical ph2  
169 PH2- Phosphino anion ph2-  
170 PH2+ Phosphino cation ph2+  
171 AsH2 Arsenic dihydride ash2  
172 AsH2+ Arsenic dihydride cation ash2+  
173 NH3- Ammonia anion nh3-  
174 NH3+ ammonia cation nh3+  
175 PH3 Phosphine ph3  
176 PH3+ Phosphine cation ph3+  
177 AsH3 Arsine ash3  
178 AsH3+ Arsine cation ash3+  
179 SbH3 Stibine sbh3  
180 AsH4+ Arsonium ash4+  
181 NH4 Ammonium radical nh4  
182 NH4+ ammonium cation nh4+  
183 PH4 Phosphoranyl radical ph4  
184 PH4+ phosphonium cation ph4+  
185 O- Oxygen atom anion o-  
186 O+ Oxygen atom cation o+  
187 S Sulfur atom s  
188 S- Sulfur atom anion s-  
189 S+ Sulfur atom cation s+  
190 Cr Chromium atom cr  
191 Se Selenium atom se  
192 Se- Selenium atom anion se-  
193 Se+ Selenium atom cation se+  
194 Te Tellurium atom te  
195 Te+ Tellurium atom cation te+  
196 OH- hydroxide anion oh-  
197 OH+ hydoxyl cation oh+  
198 DS Mercapto-d ds  
199 HS Mercapto radical hs  
200 HS- mercapto anion sh-  
201 HS+ sulfur monohydride cation sh+  
202 CrH Chromium hydride crh  
203 CrH+ Chromium hydride cation crh+  
204 HSe Selenium monohydride hse  
205 HSe- selenium monohydride anion hse-  
206 HSe+ selenium monohydride cation hse+  
207 TeH Telluryl radical teh  
208 H2O- water anion h2o-  
209 H2O+ water cation h2o+  
210 D2S Hydrogen sulfide-d2 d2s  
211 H2S Hydrogen sulfide h2s  
212 H2S- Hydrogen sulfide anion h2s-  
213 H2S+ Hydrogen sulfide cation h2s+  
214 H2Se Hydrogen selenide h2se  
215 H2Se+ Hydrogen selenide cation h2se+  
216 H2Te Hydrogen Telluride h2te  
217 H3O+ hydronium cation h3o+  
218 H3S+ Sulfonium cation h3s+  
219 H3Se+ Hydrogen Selenide, protonated h3se+  
220 F- Fluorine atom anion f-  
221 F+ Fluorine atom cation f+  
222 Cl Chlorine atom cl  
223 Cl- Chlorine atom anion cl-  
224 Cl+ Chlorine atom cation cl+  
225 Mn Manganese atom mn  
226 Br Bromine atom br  
227 Br- Bromine atom anion br-  
228 Br+ Bromine atom cation br+  
229 I Iodine atom iodine  
230 I- Iodine atom anion iodine-  
231 I+ Iodine atom cation iodine+  
232 HF- hydrogen fluoride anion hf-  
233 HF+ hydrogen fluoride cation hf+  
234 DCl Hydrochloric acid-d dcl  
235 HCl Hydrogen chloride hcl  
236 HCl- hydrogen chloride anion hcl-  
237 HCl+ hydrogen chloride cation hcl+  
238 HBr hydrogen bromide hbr  
239 HBr- hydrogen bromide anion hbr-  
240 HBr+ hydrogen bromide cation hbr+  
241 HI Hydrogen iodide hi  
242 HI+ Hydrogen iodide cation hi+  
243 H2F+ dihydrogen fluoride cation h2f+  
244 H2Cl+ dihydrogen monochloride cation h2cl+  
245 H2Br+ protonated hydrogen bromide h2br+  
246 H2I+ Iodonium h2i+  
247 Ne Neon atom ne  
248 Ne- Neon atom anion ne-  
249 Ne+ Neon atom cation ne+  
250 Ar Argon atom ar  
251 Ar- Argon atom anion ar-  
252 Ar+ Argon atom cation ar+  
253 Fe Iron atom fe  
254 Kr Krypton atom kr  
255 Kr+ Krypton cation kr+  
256 Xe Xenon atom xe  
257 HeLi+ Helium Lithium cation heli+  
258 NeH neon hydrogen neh  
259 NeH+ neon hydrogen cation neh+  
260 ArH+ Argon hydride cation arh+  
261 KrH+ Protonated Krypton krh+  
262 XeH+ Xenon, protonated xeh+  
263 H2Ar H2 Ar dimer h2ar  
264 Co Cobalt atom cobalt  
265 Ni Nickel atom ni  
266 Li2 Lithium diatomic li2  
267 Li2- lithium diatomic anion li2-  
268 Li2+ lithium diatomic cation li2+  
269 NaLi lithium sodium lina  
270 NaLi- lithium sodium anion lina-  
271 NaLi+ lithium sodium cation lina+  
272 LiK Lithium Potassium lik  
273 Na2 Sodium diatomic na2  
274 Na2- sodium diatomic anion na2-  
275 Na2+ sodium diatomic cation na2+  
276 NaK Sodium Potassium nak  
277 NaK+ Sodium Potassium diatomic cation nak+  
278 K2 Potassium diatomic k2  
279 Cu2 Copper diatomic cu2  
280 LiBe Lithium Beryllium libe  
281 LiMg Lithium magnesium limg  
282 NaBe Sodium Beryllium nabe  
283 NaMg Sodium Magnesium namg  
284 Be2 Beryllium diatomic be2  
285 Be2- Beryllium diatomic anion be2-  
286 Be2+ Beryllium diatomic cation be2+  
287 BeMg Beryllium Magnesium bemg  
288 Mg2 Magnesium diatomic mg2  
289 Mg2- magnesium diatomic anion mg2-  
290 Mg2+ magnesium diatomic cation mg2+  
291 Ca2 Calcium diatomic ca2  
292 LiB Lithium boride lib  
293 LiAl Lithium Aluminum lial  
294 NaAl Sodium aluminum naal  
295 BeB Beryllium monoboride beb  
296 B2 Boron diatomic b2  
297 B2- Boron diatomic anion b2-  
298 B2+ Boron diatomic cation b2+  
299 BAl Boron Aluminum bal  
300 Al2 Aluminum diatomic al2  
301 Al2- aluminum diatomic anion al2-  
302 Al2+ aluminum diatomic cation al2+  
303 BGa Boron Gallium bga  
304 AlGa Aluminum Gallium alga  
305 Ga2 Gallium diatomic ga2  
306 HBBH Diborane(2) hbbh  
307 LiBH4 Lithium borohydride libh4  
308 B2H4 Diborane(4) D2d b2h4  
309 HBHHBH Diborane(4) C2V hbhhbh  
310 B2H6 Diborane b2h6  
311 B2H6+ Diborane cation b2h6  
312 Al2H6 dialane al2h6  
313 Ga2H6 digallane ga2h6  
314 LiC Lithium Carbide lic  
315 BeC Beryllium Carbide bec  
316 CaC Calcium monocarbide cac  
317 BC boron monocarbide bc  
318 BC- boron monocarbide anion bc-  
319 BC+ boron monocarbide cation bc+  
320 AlC Aluminum carbide alc  
321 BSi Boron silicide bsi  
322 C2- carbon diatomic anion c2-  
323 C2+ carbon diatomic cation c2+  
324 SiC silicon monocarbide sic  
325 SiC- silicon monocarbide anion sic-  
326 SiC+ silicon monocarbide cation sic+  
327 Si2 Silicon diatomic si2  
328 Si2- silcon diatomic anion si2-  
329 Si2+ silcon diatomic cation si2+  
330 GeC Germanium monocarbide gec  
331 SiGe Silicon Germanium sige  
332 Ge2 Germanium diatomic ge2  
333 C2H Ethynyl radical c2h  
334 C2H- Ethynyl anion c2h-  
335 C2H+ Ethynyl cation c2h+  
336 ZnCH2 Zinc methylene znch2  
337 C2H2+ acetylene cation c2h2+  
338 CCH2 vinylidene vinylidene  
339 H2CC- vinylidene anion h2cc-  
340 HCCH- acetylene anion c2h2-  
341 Si2H2 disilyne si2h2  
342 CH3Li methyl lithium ch3li  
343 CuCH3 monomethyl copper cuch3  
344 ZnCH3 Zinc monomethyl znch3  
345 CH2BH methyleneborane ch2bh  
346 C2H3- vinyl anion c2h3-  
347 C2H3+ vinyl cation c2h3+  
348 C2H4- Ethylene anion c2h4-  
349 C2H4+ Ethylene cation c2h4+  
350 CH3CH methylmethylene ch3ch  
351 CH2SiH2 silaethylene ch2sih2  
352 Si2H4 Disilene si2h4  
353 CH3BH2 methylborane ch3bh2  
354 C2H5- Ethyl anion c2h5-  
355 C2H5+ Ethyl cation c2h5+  
356 C2H6+ ethane cation c2h6+  
357 CH3SiH3 methyl silane ch3sih3  
358 Si2H6 disilane si2h6  
359 GeH3CH3 methyl germane geh3ch3  
360 C2H7+ Ethane, protonated c2h7+  
361 LiN Lithium Nitride lin  
362 LiN+ Lithium Nitride cation lin+  
363 LiP Lithium monophosphide lip  
364 BeN Beryllium mononitride ben  
365 BeN- Beryllium mononitride anion ben-  
366 BeN+ Beryllium mononitride cation ben+  
367 MgN Magnesium Nitride mgn  
368 BN- boron nitride anion bn-  
369 AlN- aluminum mononitride anion aln-  
370 AlN+ aluminum mononitride cation aln+  
371 BP Boron monophosphide bp  
372 AlP Aluminum monophosphide alp  
373 GaN Gallium mononitride gan  
374 GaP Gallium monophosphide gap  
375 GaAs Gallium arsenide gaas  
376 BN boron nitride bn  
377 BN+ boron nitride cation bn+  
378 AlN Aluminum nitride aln  
379 CN- cyanide anion cn-  
380 CN+ Cyano cation cn+  
381 CP Carbon monophosphide cp  
382 CP- carbon monophosphide anion cp-  
383 CP+ carbon monophosphide cation cp+  
384 SiN Silicon nitride sin  
385 SiN- silicon mononitride anion sin-  
386 SiN+ silicon mononitride cation sin+  
387 SiP Silicon monophosphide sip  
388 SiP- Silicon monophosphide anion sip-  
389 SiP+ Silicon monophosphide cation sip+  
390 TiN Titanium mononitride tin  
391 N2- nitrogen diatomic anion n2-  
392 N2+ diatomic nitrogen cation n2+  
393 PN Phosphorus mononitride pn  
394 PN- phosphorus nitride anion pn-  
395 PN+ phosphorus nitride cation pn+  
396 P2 Phosphorus diatomic p2  
397 P2- phosphorus diatomic anion p2-  
398 P2+ phosphorus diatomic cation p2+  
399 AsN Arsenic mononitride asn  
400 AsP Arsenic monophosphide asp  
401 SbN Antimony nitride sbn  
402 As2 Arsenic diatomic as2  
403 HNB hydrogen nitrogen boron hnb  
404 HNC hydrogen isocyanide hnc  
405 HCN- Hydrogen cyanide anion hcn-  
406 HCN+ hydrogen cyanide cation hcn+  
407 HNC+ hydrogen isocyanide cation hnc+  
408 HCP Phosphaethyne hcp  
409 HCP+ Phosphaethyne cation hcp+  
410 NNH Dinitrogen monohydride nnh  
411 NNH+ Dinitrogen monohydride cation nnh+  
412 HPO Hydrogen phosphorus oxide hpo  
413 HPO+ Hydrogen phosphorus oxide cation hpo+  
414 LiNH2 lithium amide linh2  
415 HBNH Boranimine hbnh  
416 CNH2 Aminomethylidyne radical cnh2  
417 CNH2+ N-protonated hydrogen isocyanide cnh2+  
418 H2CN Dihydrogen cyanide radical h2cn  
419 H2CN+ hydrocyanonium cation h2cn+  
420 HCNH methyleneazane hcnh  
421 HCNH+ N-protonated HCN hcnh+  
422 H2NN Isodiazene h2nn  
423 N2H2 (E)-diazene n2h2  
424 N2H2 (Z)-Diazene n2h2z  
425 N2H2+ trans-diazene cation n2h2+  
426 CH2NH+ Methanimine cation ch2nh+  
427 CHNH2 aminomethylene chnh2  
428 CHNH2+ Aminocarbene cation chnh2+  
429 CH2PH Phosphaethene ch3p  
430 BH2NH2 Boranamine bh2nh2  
431 CH2NH2+ methyleneamine cation ch2nh2+  
432 N2H4+ hydrazine cation n2h4+  
433 P2H4 Diphosphine p2h4  
434 CH3NH2+ methyl amine cation ch3nh2+  
435 CH3PH2 Methyl phosphine ch3ph2  
436 SiH3NH2 Silane, amino sih3nh2  
437 N2H5+ protonated hydrazine n2h5+  
438 BH3PH3 borane phosphine bh3ph3  
439 BH3NH3 borane ammonia bh3nh3  
440 CH3NH3 methyl ammonium radical ch3nh3  
441 CH3NH3+ protonated methylamine ch3nh3+  
442 CH3PH3+ methyl phosphine, protonated ch3ph3+  
443 NH3NH3 Ammonia Dimer nh3nh3  
444 N2H7+ ammonia ammonium dimer n2h7+  
445 LiO lithium oxide lio  
446 LiO- lithium oxide anion lio-  
447 LiO+ lithium oxide cation lio+  
448 LiS Lithium monosulfide lis  
449 LiS+ Lithium sulfide cation lis+  
450 NaO sodium monoxide nao  
451 NaO- sodium oxide anion nao-  
452 NaO+ sodium oxide cation nao+  
453 KO Potassium monoxide ko  
454 KO+ Potassium monoxide cation ko+  
455 NaS Sodium sulfide nas  
456 CuO Copper Monoxide cuo  
457 LiSe Lithium monoselenide lise  
458 BeO beryllium oxide beo  
459 BeO- Beryllium monoxide anion beo-  
460 BeO+ Beryllium monoxide cation beo+  
461 BeS beryllium sulfide bes  
462 MgO magnesium oxide mgo  
463 MgO- magnesium oxide anion mgo-  
464 MgO+ magnesium oxide cation mgo+  
465 CaO Calcium monoxide cao  
466 MgS magnesium sulfide mgs  
467 MgS- magnesium sulfide anion mgs-  
468 MgS+ magnesium sulfide cation mgs+  
469 CaS Calcium sulfide cas  
470 ZnO zinc monoxide zno  
471 ZnS Zinc sulfide zns  
472 BeS- Beryllium monosulfide anion bes-  
473 BeS+ Beryllium monosulfide cation bes+  
474 BO- boron monoxide anion bo-  
475 AlO Aluminum monoxide alo  
476 AlO- Aluminum monoxide anion alo-  
477 AlO+ aluminum monoxide cation alo+  
478 BS boron sulfide bs  
479 BS- boron monosulfide anion bs-  
480 BS+ boron monosulfide cation bs+  
481 AlS Aluminum sulfide als  
482 AlS- aluminum monosulfide anion als-  
483 AlS+ aluminum monosulfide cation als+  
484 ScO Scandium monoxide sco  
485 GaO Gallium monoxide gao  
486 GaS Gallium monosulfide gas  
487 BO+ boron monoxide cation bo+  
488 CO- carbon monoxide anion co-  
489 CO+ carbon monoxide cation co+  
490 CS carbon monosulfide cs  
491 CS- carbon monosulfide anion cs-  
492 CS+ carbon monosulfide cation cs+  
493 SiO Silicon monoxide sio  
494 SiO- silicon monoxide anion sio-  
495 SiO+ silicon monoxide cation sio+  
496 SiS silicon monosulfide sis  
497 SiS- silicon monosulfide anion sis-  
498 SiS+ silicon monosulfide cation sis+  
499 TiO Titanium monoxide tio  
500 CSe Carbon monoselenide cse  
501 CSe- Carbon monoselenide anion cse-  
502 CSe+ Carbon monoselenide cation cse+  
503 GeO Germanium monoxide geo  
504 GeO+ Germanium monoxide cation geo+  
505 GeS Germanium monosulfide ges  
506 SiSe Silicon Monoselenide sise  
507 SiSe+ Silicon Monoselenide cation sise+  
508 GeSe Germanium monoselenide gese  
509 NO- nitric oxide anion no-  
510 NO+ nitric oxide cation no+  
511 NS Mononitrogen monosulfide ns  
512 NS- nitrogen sulfide anion ns-  
513 NS+ nitrogen sulfide cation ns+  
514 PO Phosphorus monoxide po  
515 PO- phosphorus monoxide anion po-  
516 PO+ phosphorus monoxide cation po+  
517 PS phosphorus sulfide ps  
518 PS- phosphorus monosulfide anion ps-  
519 PS+ phosphorus monosulfide cation ps+  
520 VO Vanadium monoxide vo  
521 AsO Arsenic monoxide aso  
522 NSe Nitrogen monoselenide nse  
523 AsS Arsenic monosulfide ass  
524 PSe Phosphorus monoselenide pse  
525 AsSe Arsenic monoselenide asse  
526 O2- oxygen diatomic anion o2-  
527 O2-- dioxygen dianion o2--  
528 O2+ diatomic oxygen cation o2+  
529 SO Sulfur monoxide so  
530 SO- sulfur monoxide anion so-  
531 SO+ sulfur monoxide cation so+  
532 S2 Sulfur diatomic s2  
533 S2- sulfur diatomic anion s2-  
534 S2+ sulfur diatomic cation s2+  
535 SeO Selenium monoxide seo  
536 SeO- selenium monoxide anion seo-  
537 SeO+ selenium monoxide cation seo+  
538 SeS Selenium monosulfide ses  
539 SeS- selenium monosulfide anion ses-  
540 SeS+ selenium monosulfide cation ses+  
541 TeO Tellurium monoxide teo  
542 Se2 Selenium diatomic se2  
543 Se2- selenium diatomic anion se2-  
544 Se2+ selenium diatomic cation se2+  
545 Te2 Tellurium diatomic te2  
546 LiOH lithium hydroxide lioh  
547 NaOH sodium hydroxide naoh  
548 KOH Potassium hydroxide koh  
549 BeOH beryllium monohydroxide beoh  
550 MgOH magnesium hydroxide mgoh  
551 CaOH Calcium monohydroxide caoh  
552 HBS hydrogen boron sulfide hbs  
553 COH Hydroxymethylidyne coh  
554 COH+ Carbon Monoxide, protonated coh+  
555 HCO- formyl anion hco-  
556 HCO+ Formyl cation hco+  
557 HCS Thioformyl radical hcs  
558 HCS- Thioformyl anion hcs-  
559 HCS+ Thioformyl cation hcs+  
560 HNO- Nitrosyl hydride anion hno-  
561 HNO+ Nitrosyl hydride cation hno+  
562 NOH Hydroxyimidogen noh  
563 NOH+ O-protonated nitric oxide noh+  
564 HNS Sulfur imide hns  
565 HNS- Sulfur imide anion hns-  
566 HO2- Hydroperoxy anion ho2-  
567 HO2+ Hydroperoxy cation ho2+  
568 HSO+ Sulfur Monoxide, S-protonated HSO+  
569 SOH Sulfur Hydroxide soh  
570 SOH+ Sulfur Monoxide, protonated soh+  
571 HS2 Thiosulfeno radical hs2  
572 H2CO- formaldehyde anion h2co-  
573 H2CO+ formaldehyde cation h2co+  
574 HOCH hydroxycarbene hoch  
575 H2CS Thioformaldehyde h2cs  
576 H2CS- thioformaldehyde anion h2cs-  
577 H2CS+ thioformaldehyde cation h2cs+  
578 H2CSe Selenoformaldehyde h2cse  
579 H2NO nitroxide h2no  
580 H2O2+ Hydrogen peroxide cation h2o2+  
581 H2OO water oxide h2oo  
582 HOSH hydrogen thioperoxide hosh  
583 H2S2 Disulfane h2s2  
584 H2S2+ hydrogen disulfide cation h2s2+  
585 H2Se2 hydrogen diselenide h2se2  
586 CH2OH+ hydroxymethyl cation ch2oh+  
587 CH3O- methoxy anion ch3o-  
588 CH3O+ Methoxy cation ch3o+  
589 CH3S thiomethoxy ch3s  
590 H2CSH+ Thioformaldehyde, protonated h2csh+  
591 NH2OH+ Hydroxylamine cation nh2oh+  
592 NH3O Ammonia Oxide nh3o  
593 H2POH Phosphinous acid h2poh  
594 H3PO Phosphine oxide h3po  
595 NH2SH Thiohydroxylamine nh2sh  
596 NH3S sulfidoazane nh3s  
597 H3O2+ hydrogen peroxide, protonated h3o2+  
598 CH3OH- Methyl alcohol anion ch3oh-  
599 CH3OH+ Methyl alcohol cation ch3oh+  
600 CH3SH Methanethiol ch3sh  
601 CH3SH+ Methanethiol cation ch3sh+  
602 SiH3OH silanol sih3oh  
603 CH3SeH Methane selenol ch3seh  
604 NH2OH2+ protonated hydroxylamine nh2oh2+  
605 NH3OH+ N-protonated hydroxylamine nh3oh+  
606 H2OH2O water dimer h2oh2o  
607 CH3OH2+ Methanol, protonated ch3oh2+  
608 CH3SH2+ protonated methylsulfide ch3sh2+  
609 H2ONH3 Water Ammonia Dimer h2onh3  
610 H5O2+ Dihydroxonium ion h5o2+  
611 LiF lithium fluoride lif  
612 LiCl lithium chloride licl  
613 LiCl- lithium chloride anion licl-  
614 LiCl+ lithium chloride cation licl+  
615 NaF sodium fluoride naf  
616 NaF- sodium fluoride anion naf-  
617 NaF+ sodium fluoride cation naf+  
618 KF Potassium Fluoride kf  
619 NaCl Sodium Chloride nacl  
620 NaCl- sodium chloride anion nacl-  
621 NaCl+ sodium chloride cation nacl+  
622 KCl Potassium Chloride kcl  
623 CuF Copper monofluoride cuf  
624 LiBr Lithium Bromide libr  
625 LiBr- lithium bromide anion libr-  
626 LiBr+ lithium bromide cation libr+  
627 CuCl Copper monochloride cucl  
628 NaBr Sodium Bromide nabr  
629 NaBr- sodium bromide anion nabr-  
630 NaBr+ sodium bromide cation nabr+  
631 KBr Potassium Bromide kbr  
632 LiI Lithium Iodide lii  
633 NaI Sodium Iodide nai  
634 KI Potassium Iodide ki  
635 LiF- lithium fluoride anion lif-  
636 LiF+ lithium fluoride cation lif+  
637 BeF Beryllium monofluoride bef  
638 BeF- Beryllium monofluoride anion bef-  
639 BeF+ Beryllium monofluoride cation bef+  
640 BeCl beryllium monochloride becl  
641 MgF Magnesium monofluoride mgf  
642 MgF- magnesium fluoride anion mgf-  
643 MgF+ magnesium fluoride cation mgf+  
644 CaF Calcium monofluoride caf  
645 MgCl magnesium monochloride mgcl  
646 MgCl- magnesium monochloride anion mgcl-  
647 MgCl+ magnesium monochloride cation mgcl+  
648 CaCl calcium monochloride cacl  
649 TiCl Titanium Monochloride ticl  
650 ZnF Zinc monofluoride znf  
651 ZnF- Zinc monofluoride anion znf-  
652 ZnF+ Zinc monofluoride cation znf+  
653 ZnCl Zinc monochloride zncl  
654 CaBr Calcium monobromide cabr  
655 BeCl- beryllium monochloride anion becl-  
656 BeCl+ beryllium monochloride cation becl+  
657 BF- Boron monofluoride anion bf-  
658 BF+ Boron monofluoride cation bf+  
659 AlF Aluminum monofluoride alf  
660 AlF- Aluminum monofluoride anion alf-  
661 AlF+ Aluminum monofluoride cation alf+  
662 BCl boron monochloride bcl  
663 BCl- boron monochloride anion bcl-  
664 BCl+ boron monochloride cation bcl+  
665 AlCl Aluminum monochloride alcl  
666 AlCl- aluminum monochloride anion alcl-  
667 AlCl+ aluminum monochloride cation alcl+  
668 ScF Scandium monofluoride scf  
669 BBr Boron monobromide bbr  
670 GaF Gallium monofluoride gaf  
671 GaF+ Gallium monofluoride cation gaf+  
672 AlBr Aluminum monobromide albr  
673 GaCl Gallium monochloride gacl  
674 GaCl+ Gallium monochloride cation gacl+  
675 AlI Aluminum monoiodide ali  
676 GaBr Gallium monobromide gabr  
677 CF- carbon monofluoride anion cf-  
678 CF+ carbon monofluoride cation cf+  
679 CCl carbon monochloride ccl  
680 CCl- carbon monochloride anion ccl-  
681 CCl+ carbon monochloride cation ccl+  
682 SiF silicon monofluoride sif  
683 SiF- silicon monofluoride anion sif-  
684 SiF+ silicon monofluoride cation sif+  
685 SiCl Clorosilylidyne sicl  
686 SiCl- silicon monochloride anion sicl-  
687 SiCl+ silicon monochloride cation sicl+  
688 CBr Carbon monobromide cbr  
689 GeF Germanium monofluoride gef  
690 GeF+ Germanium monofluoride cation gef+  
691 GeCl Germanium monochloride gecl  
692 GeCl+ Germanium monochloride cation gecl+  
693 SiBr Silicon monobromide sibr  
694 SiBr+ Silicon monobromide cation sibr+  
695 NF- nitrogen monofluorine anion nf-  
696 NF+ nitrogen monofluoirde cation nf+  
697 NCl nitrogen monochloride ncl  
698 NCl- nitrogen monochloride anion ncl-  
699 NCl+ nitrogen monochloride cation ncl+  
700 PF phosphorus monofluoride pf  
701 PF- phosphorus monofluoride anion pf-  
702 PF+ phosphorus monofluoride cation pf+  
703 PCl phosphorus chloride pcl  
704 PCl- phosphorus monochloride anion pcl-  
705 PCl+ phosphorus monochloride cation pcl+  
706 AsF Arsenic monofluoride asf  
707 NBr nitrogen monobromide nbr  
708 AsCl Arsenic monochloride ascl  
709 PBr Phosphorus monobromide pbr  
710 SbF Antimony monofluoride sbf  
711 SbCl Antimony monochloride sbcl  
712 FO- flourine oxide anion fo-  
713 FO+ fluorine monoxide cation fo+  
714 ClO Monochlorine monoxide clo  
715 ClO- chlorine monoxide anion clo-  
716 ClO+ chlorine monoxide cation clo+  
717 SF Monosulfur monofluoride sf  
718 SF- sulfur monofluoride anion sf-  
719 SF+ sulfur monofluoride cation sf+  
720 SCl sulfur monochloride scl  
721 SCl- sulfur monochloride anion scl-  
722 SCl+ sulfur monochloride cation scl+  
723 BrO Bromine monoxide bro  
724 BrO- Bromine monoxide anion bro-  
725 BrO+ Bromine monoxide cation bro+  
726 SeF Selenium monofluoride sef  
727 SBr Sulfur monobromide radical sbr  
728 SBr+ Sulfur monobromide cation sbr+  
729 SeCl Selenium monochloride secl  
730 IO Iodine monoxide io  
731 SeBr Selenium monobromide sebr  
732 BrCl Bromine monochloride brcl  
733 F2- flourine diatomic anion f2-  
734 F2+ flourine diatomic cation f2+  
735 ClF Chlorine monofluoride clf  
736 ClF- clorine monofluoride anion clf-  
737 ClF+ clorine monofluoride cation clf+  
738 Cl2 Chlorine diatomic cl2  
739 Cl2- chlorine diatomic anion cl2-  
740 Cl2+ chlorine diatomic cation cl2+  
741 BrF Bromine monofluoride brf  
742 BrF- bromine fluoride anion brf-  
743 BrF+ bromine fluoride cation brf+  
744 BrCl- bromine chloride anion brcl-  
745 BrCl+ bromine chloride cation brcl+  
746 IF Iodine monofluoride if  
747 Br2 Bromine diatomic br2  
748 Br2- bromine diatomic anion br2-  
749 Br2+ bromine diatomic cation br2+  
750 ICl Iodine monochloride icl  
751 IBr Iodine monobromide ibr  
752 I2 Iodine diatomic i2  
753 I2+ Iodine diatomic cation i2+  
754 HCCl Chloromethylene hccl  
755 HSiF fluorosilylene hsif  
756 HSiCl Chlorosilylene hsicl  
757 HSiBr monobromosilylene hsibr  
758 CHBr bromomethylene chbr  
759 DOCl Hypochlorous acid-d docl  
760 HOCl hypochlorous acid hocl  
761 HOCl+ hypochlorous acid cation hocl+  
762 HOBr Hypobromous acid hobr  
763 HOBr+ Hypobromous acid cation hobr+  
764 HOI Hypoiodous acid hoi  
765 F2H+ Fluorine, protonated f2h+  
766 FHF Hydrogen difluoride fhf  
767 FHF- Hydrogen difluoride anion fhf-  
768 ClFH+ Chlorine fluoride, F-protonated clfh+  
769 FClH+ Chlorine fluoride, Cl-protonated fclh+  
770 Cl2H+ Chlorine, protonated cl2h+  
771 CH2Br bromomethyl radical ch2br  
772 CH2F fluoromethyl radical ch2f  
773 CH2F+ fluoromethyl cation ch2f+  
774 CH2Cl+ chloromethyl cation ch2cl+  
775 CH2Cl chloromethyl radical ch2cl  
776 NH2F monofluoroamine nh2f  
777 NH2Cl chloramine nh2cl  
778 H2F2 Hydrogen fluoride dimer h2f2  
779 CH3F+ methyl fluoride cation ch3f+  
780 CD3F methylfluoride-d3 cd3f  
781 CD3Cl methyl chloride d3 cd3cl  
782 CH3Cl Methyl chloride ch3cl  
783 CH3Cl+ Methyl chloride cation ch3cl+  
784 SiH3F monofluorosilane sih3f  
785 SiH3Cl chlorosilane sih3cl  
786 CH3Br methyl bromide ch3br  
787 GeH3F monofluorogermane geh3f  
788 GeH3Cl monochlorogermane geh3cl  
789 SiH3Br bromosilane sih3br  
790 CH3I methyl iodide ch3i  
791 SiH3I Silyl Iodide sih3i  
792 NH3Cl+ protonated monochloroammonia nh3cl+  
793 CH3ClH+ methyl chloride, protonated ch3clh+  
794 NH4Cl Ammonium chloride nh4cl  
795 LiNe+ Lithium Neon cation line+  
796 Ne2 Neon diatomic ne2  
797 Ne2+ Neon diatomic cation ne2+  
798 Ar2 Argon diatomic ar2  
799 Ar2+ Argon diatomic cation ar2+  
800 Li3 Lithium trimer li3  
801 Li3+ Lithium trimer cation li3+  
802 C3+ carbon trimer cation c3+  
803 SiC2 Silicon dicarbide sic2  
804 C3H3 cyclopropenyl radical cpr  
805 C3H3- Propargyl anion c3h3-  
806 C3H3+ cyclopropenyl cation cpr+  
807 C3H3+ Propargyl cation c3h3+  
808 C3H4 cyclopropene cprop  
809 C3H5 Allyl radical allyl  
810 C3H5+ Allyl cation allyl+  
811 CH3CHCH 1-propenyl radical ch3chch  
812 Zn(CH3)2 dimethyl zinc dmz  
813 C3H7+ cyclopropane, protonated c3h7+  
814 CH3CHCH3 Isopropyl radical isopropyl  
815 CH3CHCH3+ Isopropyl cation prop2yl+  
816 SiH2(CH3)2 dimethylsilane dms  
817 Si3H8 trisilane si3h8  
818 LiCN lithium cyanide licn  
819 NaCN Sodium Cyanide nacn  
820 KCN Potassium cyanide kcn  
821 CuCN Copper cyanide cucn  
822 ZnCN Zinc monocyanide zncn  
823 ZnNC Zinc isocyanide znnc  
824 AlCN Aluminum monocyanide alcn  
825 AlNC Aluminum isocyanide alnc  
826 CN2 3H-Diazirin-3-ylidene cn2  
827 CNN Diazocarbene cnn  
828 NCN Cyanoimidogen ncn  
829 N3 azide radical n3  
830 N3- azide anion n3-  
831 N3+ azide cation n3+  
832 HCCN cyanomethylene hccn  
833 HCNN diazomethyl radical hcnn  
834 HN3 hydrogen azide hn3  
835 HN3+ Hydrazoic acid cation hn3+  
836 HNCNH diiminomethane hncnh  
837 CH2N2 diazirine ch2n2  
838 CH2NN diazomethane ch2nn  
839 NH2CN cyanamide cyanamide  
840 HNNNH+ 1,2-Triazadienium n2h3+  
841 NH2NN+ hydrazoic acid, protonated nh2nn+  
842 CH3CN- acetonitrile anion ch3cn-  
843 CH3CN+ Acetonitrile cation ch3cn+  
844 CH3NC methyl isocyanide ch3nc  
845 CHNCH2 2H-Azirine c157164  
846 CHNHCH 1H-Azirine chnhch  
847 H2CCNH Ethenimine ch2cnh  
848 H2CNCH methyleneaminomethylene ch2nch  
849 HCCNH2 Ethynamine hccnh2  
850 HCNCH2+ 2H-Azirine cation hcnch2+  
851 HNCNH2+ diiminomethane, protonated hncnh2+  
852 NCNH3+ Cyanamide, protonated ncnh3+  
853 NH2CNH+ cyanamide, cn protonated nh2cnh+  
854 NH3CN+ cyanamide, amine protonated nh3cn+  
855 CH2CHNH vinylazine ch2chnh  
856 CH3CHN methylmethaniminyl radical ch3chn  
857 NHCHNH2 aminomethanimine cn2h4  
858 CH2CHNH2 aminoethene aminoethene  
859 CH2NCH3 N-methylmethanimine nmm  
860 CH3CHNH ethanimine ethanimine  
861 NH2BHNH2 diaminoborane nh2bhnh2  
862 C2H5NH+ Protonated Aziridine c2h5nh+  
863 C2H6N+ aziridine, protonated c2h6n+  
864 NH2CH2NH2 diaminomethane nh2ch2nh2  
865 CH3PHCH3 dimethylphosphine ch3phch3  
866 NH2CH2NH3+ diaminoethane, protonated pdam  
867 (CH3)2NH2+ dimethylammonium cation dmam  
868 CH3CH2NH3+ ethylamine, protonated pea  
869 Li2O dilithium oxide li2o  
870 Li2O+ dilithium oxide cation li2o+  
871 Li2S dilithium sulfide li2s  
872 Na2O disodium monoxide na2o  
873 Na2S Sodium sulfide na2s  
874 LiO2 Lithium dioxide lio2  
875 NaO2 Sodium superoxide nao2  
876 CCO Dicarbon monoxide cco  
877 CNO- fulminate cno-  
878 NCO isocyanato radical nco  
879 NCO- cyanate nco-  
880 SCN thiocyanato radical scn  
881 SCN- thiocyanide anion scn-  
882 BO2- Boron dioxide anion bo2-  
883 BO2+ Boron dioxide cation bo2+  
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 anion no2-  
905 NO2+ Nitrogen dioxide cation no2+  
906 NSO sulfinyl amidogen NSO  
907 PO2 Phosphorus dioxide po2  
908 PO2- Phosphorus dioxide anion po2-  
909 PO2+ Phosphorus dioxide cation po2+  
910 SNO Nitrogen oxide sulfide sno  
911 AsO2 Aresenic dioxide aso2  
912 O3- Ozone anion o3-  
913 O3+ Ozone cation o3+  
914 SO2 Sulfur dioxide so2  
915 SO2- Sulfur dioxide anion so2-  
916 SO2+ Sulfur dioxide cation so2+  
917 SSO Disulfur monoxide sso  
918 S3 Sulfur trimer s3  
919 S3- Sulfur trimer anion s3-  
920 S3+ Sulfur trimer cation s3+  
921 SeO2 Selenium dioxide seo2  
922 SeO2+ Selenium dioxide cation seo2+  
923 TeO2 Tellurium Dioxide teo2  
924 HCCO ketenyl radical ketenyl  
925 CS2H+ Carbon disulfide, protonated cs2h+  
926 HCNO fulminic acid hcno  
927 HOCN cyanic acid hocn  
928 HNCS Isothiocyanic acid hncs  
929 HSCN thiocyanic acid hscn  
930 HCO2- formate anion hco2-  
931 HNNO nitrosoazane hnno  
932 HNNO+ Nitrous oxide, N-protonated hnno+  
933 NNOH+ Nitrous Oxide, O-protonated nnoh+  
934 HCOO formate neutral radical hcoo  
935 HOCO Hydrocarboxyl radical hoco  
936 HOCO+ Hydrocarboxyl cation hoco+  
937 HNO2+ nitrous acid cation hno2+  
938 O3H+ protonated ozone o3h+  
939 SO2H+ protonated sulfur dioxide so2h+  
940 C2H2O Oxirene oxirene  
941 CH2CO+ Ketene cation ch2co+  
942 HCCOH ethynol hccoh  
943 CH2CS Thioketene ch2cs  
944 Be(OH)2 Beryllium hydroxide beo2h2  
945 Mg(OH)2 Magnesium dihydroxide h2mgo2  
946 NH2NO Nitrosamide nh2no  
947 CH2O2 Dioxirane diox  
948 H2COO Dioxymethyl radical h2coo  
949 H2COO+ dioxymethyl cation h2coo+  
950 H2O3 Hydrogen trioxide h2o3  
951 HSSSH trisulfane hsssh  
952 NaOCH3 Sodium methoxide naoch3  
953 CH2BOH hydroxy(methylene)borane ch2boh  
954 BH3CO Borane carbonyl bh3co  
955 CH3BO Borane, methyloxo- ch3bo  
956 CH2CHO Vinyloxy radical ch2cho  
957 CH2COH+ ketene, protonated ch2coh+  
958 CH3CO Acetyl radical ch3co  
959 CH3CO- Acetyl anion ch3co-  
960 CH3CO+ acetyl cation ch3co+  
961 CH2NOH formaldoxime ch2noh  
962 CH3NO nitrosomethane ch3no  
963 CHONH2 formamide formamide  
964 CNOH3 1,2-oxaziridine cnoh3  
965 HOCHNH hydroxymethylimine hochnh  
966 CHSNH2 thioformamide chsnh2  
967 NHCHSH Methanimidothioic acid nhchsh  
968 CH2OOH CH2OOH radical ch2ooh  
969 CH3OO methylperoxy radical ch3oo  
970 CH3OO- methylperoxy anion ch3oo-  
971 CH3OO+ methylperoxy cation ch3oo+  
972 C2H4O+ ethylene oxide cation c2h4o+  
973 CH2CHOH ethenol ch2choh  
974 CH3CHO+ acetaldehyde cation ch3cho+  
975 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
976 C2H4S Thiirane thiirane  
977 CH2CHSH Ethenethiol ch2chsh  
978 CH3CHS Thioacetaldehyde ch3chs  
979 H2CONH2+ protonated formamide h2conh2+  
980 NH2CHOH+ Formamide, O-protonated nh2choh+  
981 NH3CHO+ Formamide, N-Protonated nh3cho+  
982 CH2(OH)2 methanediol ch2o2h2  
983 CH3OOH Methyl peroxide ch3ooh  
984 CH3SSH Hydrogen methyl disulfide ch3ssh  
985 HSCH2SH Methanedithiol ch4s2  
986 H2OH2CO water formaldehyde dimer h2oh2co  
987 C2H4OH+ ethylene oxide, protonated c2h4oh+  
988 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
989 CH3CH2O Ethoxy radical ethoxy  
990 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
991 CH3CHOH+ acetaldehyde, protonated ch3choh+  
992 CH3OCH2 methoxymethyl radical ch3och2  
993 NH2CH2OH aminomethanol nh2ch2oh  
994 CH3CH2SH ethanethiol etsh  
995 CH3SCH3 Dimethyl sulfide mesme  
996 CH3SCH3+ dimethyl sulfide cation mesme+  
997 CH3SeCH3 dimethylselenide dmse  
998 CH3OHH2O methanol water dimer ch3ohh2o  
999 H2OCH3OH water methanol dimer h2och3oh  
1000 CuF2 Copper difluoride cuf2  
1001 ZnF2 Zinc difluoride znf2  
1002 CNF iso cyanogen fluoride cnf  
1003 FCN Cyanogen fluoride fcn  
1004 ClCN chlorocyanogen clcn  
1005 BrCN Cyanogen bromide brcn  
1006 ICN Cyanogen iodide icn  
1007 FBO Boron monofluoride monoxide fbo  
1008 BeF2 Beryllium fluoride bef2  
1009 MgF2 Magnesium fluoride mgf2  
1010 BeCl2 Beryllium chloride becl2  
1011 MgCl2 Magnesium dichloride mgcl2  
1012 CaCl2 Calcium Chloride cacl2  
1013 ZnCl2 Zinc dichloride zncl2  
1014 BeBr2 Beryllium bromide bebr2  
1015 CaBr2 Calcium dibromide cabr2  
1016 CaF2 Calcium difluoride caf2  
1017 FCO Carbonyl fluoride fco  
1018 FCO+ Carbonyl fluoride cation fco+  
1019 ClCO carbonyl monochloride clco  
1020 BF2 Boron difluoride radical bf2  
1021 ClNO Nitrosyl chloride clno  
1022 FNS Thionitrosyl fluoride fns  
1023 FSN Thiazyl fluoride fsn  
1024 OPCl Phosphorus oxychloride opcl  
1025 BrNO Nitrosyl bromide brno  
1026 INO Nitrosyl iodide ino  
1027 CF2- Difluoromethylene anion cf2-  
1028 CF2+ Difluoromethylene cation cf2+  
1029 CFCl chlorofluoromethylene cfcl  
1030 SiF2 Silicon difluoride sif2  
1031 SiF2+ Silicon difluoride cation sif2+  
1032 CCl2 dichloromethylene ccl2  
1033 CCl2- dichloromethylene anion ccl2-  
1034 CCl2+ dichloromethylene cation ccl2+  
1035 SiCl2 Dichlorosilylene sicl2  
1036 GeF2 Germanium difluoride gef2  
1037 GeCl2 Germanium dichloride gecl2  
1038 CBr2 dibromomethylene cbr2  
1039 FOO+ Fluorine dioxide cation foo+  
1040 ClOO chloroperoxy radical cloo  
1041 ClOO+ chloroperoxy cation cloo+  
1042 OClO Chlorine dioxide oclo  
1043 OClO- Chlorine dioxide anion oclo-  
1044 OClO+ Chlorine dioxide cation oclo+  
1045 ClSO Sulfur chloride oxide clso  
1046 ClS2 Sulfur chloride cls2  
1047 BrOO Bromine dioxide broo  
1048 OBrO Bromine dioxide radical obro  
1049 NF2+ Difluoroamino cation nf2+  
1050 PF2 Phosphorus difluoride pf2  
1051 PF2+ Phosphorus difluoride cation pf2+  
1052 FClO chlorosyl fluoride fclo  
1053 ClOF Chlorine hypofluorite clof  
1054 SF2 sulfur difluoride sf2  
1055 SF2- sulfur difluoride anion sf2-  
1056 SF2+ sulfur difluoride cation sf2+  
1057 Cl2O Dichlorine monoxide cl2o  
1058 SCl2 Sulfur dichloride scl2  
1059 SeF2 Selenium difluoride sef2  
1060 BrOCl Bromine hypochlorite brocl  
1061 SeCl2 Selenium Dichloride secl2  
1062 SBr2 Sulfur dibromide sbr2  
1063 SeBr2 Selenium dibromide sebr2  
1064 BrOBr Bromine oxide brobr  
1065 F3- trifluoride anion f3-  
1066 Cl3- trichloride anion cl3-  
1067 Br3- tribromide anion br3-  
1068 I3- triiodide i3-  
1069 SFCl Sulfur chloride fluoride sfcl  
1070 HCCF Fluoroacetylene hccf  
1071 HCCF+ fluoroacetylene cation hccf+  
1072 HCCCl Chloroacetylene hcccl  
1073 HCCBr bromoacetylene hccbr  
1074 HFCO formyl fluoride hfco  
1075 HFCO+ formyl fluoride cation hfco+  
1076 COHCl Formyl chloride cohcl  
1077 COHBr Formyl bromide cohbr  
1078 BHCl2 Borane, dichloro- bhcl2  
1079 CHCl2 dichloromethyl radical chcl2  
1080 CHF2 difluoromethyl radical chf2  
1081 CHF2+ difluoromethyl cation chf2+  
1082 CHFCl Chlorofluoromethyl radical chfcl  
1083 CHFCl+ Chlorofluoromethyl cation chfcl+  
1084 CHCl2+ dichloromethyl cation chcl2+  
1085 CHBr2 dibromomethyl radical chbr2  
1086 HOClO Chlorous acid hoclo  
1087 NHF2 difluoramine nhf2  
1088 NHCl2 dichloroamine nhcl2  
1089 CH2FCl fluorochloromethane ch2fcl  
1090 SiH2F2 difluorosilane sih2f2  
1091 CH2Cl2 Methylene chloride ch2cl2  
1092 CH2BrF Methane, bromofluoro- ch2fbr  
1093 CH2BrCl Methane, bromochloro- ch2clbr  
1094 CH2FI fluoroiodomethane ch2fi  
1095 CH2Br2 dibromomethane ch2br2  
1096 CH2ClI chloroiodomethane ch2cli  
1097 CH2BrI bromoiodomethane ch2bri  
1098 CH2I2 Diiodomethane ch2i2  
1099 SiH2Cl2 dichlorosilane sih2cl2  
1100 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1101 CH2CHF+ fluoroethene cation ch2chf+  
1102 C2H3Cl Ethene, chloro- ch2chcl  
1103 C2H3Br vinyl bromide c2h3br  
1104 C2H3I Vinyl iodide c2h3i  
1105 CH2FOH fluoromethanol ch2foh  
1106 CH3OCl methyl hypochlorite ch3ocl  
1107 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1108 CHClCH3 1-chloroethyl radical chclch3  
1109 C2H5F fluoroethane c2h5f  
1110 CH3CH2Cl Ethyl chloride c2h5cl  
1111 CH3SiFH2 fluoromethylsilane ch3sifh2  
1112 C2H5Br Ethyl bromide etbr  
1113 C2H5I Ethyl iodide c2h5i  
1114 KrF2 Krypton difluoride krf2  
1115 XeF2 Xenon difluoride xef2  
1116 B4H10 Tetraborane(10) b4h10  
1117 C4 Carbon tetramer c4  
1118 C4+ Carbon tetramer cation c4+  
1119 C4H2 Diacetylene c4h2  
1120 C4H2+ diacetlyene cation c4h2+  
1121 C2H3CCH 1-Buten-3-yne c2h3cch  
1122 C4H4 cyclobutadiene cbd  
1123 C4H4 Tetrahedrane c4h4  
1124 H2CCCCH2 Butatriene h2cccch2  
1125 C4H6 1-Methylcyclopropene c3100047  
1126 C4H6 Cyclobutene c822355  
1127 C4H6 Methylenecyclopropane c6142730  
1128 CH2CCHCH3 1,2-Butadiene butad12  
1129 CH2CHCHCH2 1,3-Butadiene c106990  
1130 CH3CCCH3 2-Butyne c503173  
1131 CHCCH2CH3 1-Butyne c107006  
1132 CH3CHCHCH2 methylallyl radical c4h7  
1133 C4H8 methylcyclopropane mcp  
1134 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1135 CH2CHCH2CH3 1-Butene bute1  
1136 CH3CHCHCH3 2-Butene, (E)- bute2e  
1137 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1138 B(CH3)3 trimethylborane bme3  
1139 Al(CH3)3 trimethyl aluminum tma  
1140 C(CH3)3 Tert-butyl radical tbutyl  
1141 CH2CH(CH3)2 Isobutyl radical isobutyl  
1142 CH3CHCH2CH3 2-Butyl radical butyl2  
1143 CH3CH(CH3)CH3 Isobutane isobutane  
1144 CH3CH2CH2CH3 Butane butane  
1145 SiH(CH3)3 trimethylsilane trimsi  
1146 Li3N trilithium nitride li3n  
1147 C2N2 Cyanogen c2n2  
1148 C2N2+ Cyanogen cation c2n2+  
1149 P4 Phosphorus tetramer p4  
1150 As4 Arsenic tetramer as4  
1151 HCCCN Cyanoacetylene hcccn  
1152 HCCCN+ Cyanoacetylene cation hcccn+  
1153 H2CNCN cyanamide, methylene ch2ncn  
1154 HNCCNH Ethenediimine hnccnh  
1155 C3H3N acrylonitrile ch2chcn  
1156 C3H3N+ acrylonitrile cation ch2chcn+  
1157 CH3N3 methyl azide ch3n3  
1158 NH2CCNH2 Diaminoacetylene daa  
1159 NH2CH2CN Aminoacetonitrile aan  
1160 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1161 C2H5CN ethyl cyanide c2h5cn  
1162 CH5N3 Guanidine guanidine  
1163 C4H6 Bicyclo[1.1.0]butane c157335  
1164 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1165 H2NCHCHNH2 diaminoethylene dae  
1166 CH6N3+ guanidinium ch6n3+  
1167 C3H7N Cyclopropylamine cpram  
1168 CH7N3 triaminomethane tam  
1169 C3H7N Azetidine azet  
1170 C4H8 cyclobutane cbutane  
1171 C2H8N2 Ethylenediamine ethdiam  
1172 CH3NHNHCH3 dimethyl hydrazine dmh  
1173 CH3CH(NH2)CH3 2-Propanamine pram2  
1174 N(CH3)3 Trimethylamine trimeam  
1175 NH2CH2CH2CH3 1-Propanamine pram1  
1176 P(CH3)3 trimethylphosphine tmp  
1177 N(SiH3)3 trisilylamine tsa  
1178 As(CH3)3 trimethyl arsine tmas  
1179 (CH3)3NH+ protonated trimethyl amine ptma  
1180 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1181 Li2O2 dilithium dioxide li2o2  
1182 Na2O2 disodium dioxide na2o2  
1183 K2O2 dipotassium dioxide k2o2  
1184 C3O Tricarbon monoxide c3o  
1185 B2O2 Diboron dioxide b2o2  
1186 ONNO NO dimer onno  
1187 S2N2 Disulfur dinitride s2n2  
1188 CO3 Carbon trioxide co3  
1189 CO3-- carbonate co3--  
1190 CS3-- Carbonotrithioate cs3--  
1191 NO3 Nitrogen trioxide no3  
1192 NO3- nitrate anion no3-  
1193 NO3+ nitrogen trioxide cation no3+  
1194 SO3 Sulfur trioxide so3  
1195 SO3- Sulfur trioxide anion so3-  
1196 SO3-- Sulfate dianion so3--  
1197 SO3+ Sulfur trioxide cation so3+  
1198 SeO3 selenium trioxide seo3  
1199 S4 Sulfur tetramer s4  
1200 TeO3 Tellurium trioxide teo3  
1201 HCO3- bicarbonate anion hco3-  
1202 HNO3 Nitric acid hno3  
1203 HSO3 Hydroxysulfonyl radical hso3  
1204 NH2NO2 nitramide nh2no2  
1205 C2H2CO cyclopropenone c2h2co  
1206 C3H2O Propadienal c3h2o  
1207 HCCCHO 2-propynal hcccho  
1208 C2H2O2 Ethanedial c2h2o2  
1209 C2H2O2+ Ethanedial cation c2h2o2+  
1210 H2CO3 Carbonic acid h2co3  
1211 H2CS3 thiocarbonic acid h2cs3  
1212 H2NO3+ Nitric Acid, Protonated h2no3+  
1213 H2SO3 Sulfurous acid h2so3  
1214 C2H3NO Nitrosoethylene c2h3no  
1215 CH3NCO methylisocyante ch3nco  
1216 HOCH2CN cyanomethanol hoch2cn  
1217 CH3COO- acetate anion ch3coo-  
1218 CH3NO2 Methane, nitro- ch3no2  
1219 CH3ONO Methyl nitrite ch3ono  
1220 NH2COOH Carbamic acid nh2cooh  
1221 H3BO3 Boric acid h3bo3  
1222 H3AlO3 Aluminum hydroxide h3alo3  
1223 H3CO3+ carbonic acid, protonated h3co3+  
1224 C3H4O 2-Propyn-1-ol c107197  
1225 C3H4O allenol c9000071  
1226 C3H4O Cyclopropanone cpone  
1227 C3H4O Methylketene c6004440  
1228 CH2CHCHO Acrolein c3h4o  
1229 NH2CONH2 Urea urea  
1230 NH2CONH2+ Urea cation urea+  
1231 NH2CSNH2 Thiourea thiourea  
1232 C2H4O2 1,3-dioxetane c2h4o2  
1233 CH3COOH Acetic acid ch3cooh  
1234 CH3OCHO methyl formate ch3ocho  
1235 CHOCH2OH hydroxy acetaldehyde haa  
1236 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1237 NH3COOH+ protonated Carbamic acid nh3cooh+  
1238 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1239 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1240 HCOOHH2O Formic acid water dimer hcoohh2o  
1241 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1242 CH3COCH2 Acetonyl radical ch3coch2  
1243 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1244 CH3C(OH)=NH Ethaninidic acid eia  
1245 CH3CHNOH Acetaldoxime acetaldoxime  
1246 CH3CONH2 Acetamide acetamide  
1247 HCONHCH3 N-methylformamide nmfa  
1248 CH3CSNH2 Ethanethioamide ch3csnh2  
1249 CH5N2O+ urea, N-protonated ch4n2o+  
1250 H2NCOHNH2+ urea, protonated ureah+  
1251 C2H5OO ethylperoxy radical c2h5oo  
1252 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1253 C3H5OH Cyclopropanol cproh  
1254 C3H6O 2-Propen-1-ol c107186  
1255 C3H6O Acetone enol enol  
1256 C3H6O Oxetane oxetane  
1257 C3H6O Propylene oxide prox  
1258 CH3CH2CHO Propanal propanal  
1259 CH3COCH3 Acetone acetone  
1260 CH3COCH3- acetone anion ch3coch3-  
1261 C3H6S Thietane thietane  
1262 C3H6S Thiirane, methyl- methiirane  
1263 CH3CSCH3 Thioacetone ch3csch3  
1264 C2H6O2 1,2-Ethanediol ethdiol  
1265 CH3OOCH3 dimethylperoxide dmp  
1266 CH3SOCH3 Dimethyl sulfoxide dmso  
1267 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1268 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1269 CH3COHCH3+ acetone, protonated acetoneh+  
1270 HOCH2CH2NH2 monoethanolamine mea  
1271 C3H7OH 1-Propanol proh  
1272 CH3CHOHCH3 Isopropyl alcohol isoproh  
1273 CH3OC2H5 Ethane, methoxy- etome  
1274 C3H7SH 1-Propanethiol prsh  
1275 CH3CHSHCH3 2-Propanethiol isoprsh  
1276 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1277 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1278 Li2F2 Lithium fluoride dimer li2f2  
1279 Na2F2 Sodium Fluoride Dimer na2f2  
1280 Na2Cl2 Disodium dichloride na2cl2  
1281 C2F2 difluoroacetylene c2f2  
1282 C2Cl2 dichloroacetylene c2cl2  
1283 C2Cl2+ dichloroacetylene cation c2cl2+  
1284 FNO2 Nitryl fluoride fno2  
1285 FONO Nitrosyl hypofluorite fono  
1286 ClNO2 Nitryl chloride clno2  
1287 ClONO chlorine nitrite clono  
1288 BrONO Bromine nitrite brono  
1289 N2F2 (Z)-Difluorodiazene n2f2_z  
1290 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1291 CF2O Carbonic difluoride f2co  
1292 CF2O+ Carbonic difluoride cation f2co+  
1293 COFCl Carbonic chloride fluoride cofcl  
1294 CCl2O Phosgene cl2co  
1295 Cl2CS Thiophosgene cl2cs  
1296 COBr2 Carbonic dibromide cobr2  
1297 BF3 Borane, trifluoro- bf3  
1298 BF3- Borane, trifluoro- anion bf3-  
1299 BF3+ boron trifluoride cation bf3+  
1300 AlF3 Aluminum trifluoride alf3  
1301 BClF2 Chlorodifluoroborane bclf2  
1302 AlF2Cl Aluminum chloride difluoride alclf2  
1303 ScF3 Scandium trifluoride ScF3  
1304 AlFCl2 Aluminum dichloride fluoride alcl2f  
1305 BCl3 Borane, trichloro- bcl3  
1306 BCl3+ Boron Trichloride cation bcl3+  
1307 GaF3 Gallium trifluoride gaf3  
1308 AlCl3 Aluminum trichloride alcl3  
1309 GaCl3 Gallium trichloride gacl3  
1310 BBr3 Boron tribromide bbr3  
1311 AlBr3 Aluminum Bromide albr3  
1312 ClO3 Chlorine trioxide clo3  
1313 ClO3- chlorate anion clo3-  
1314 BrO3- Bromate anion bro3-  
1315 CF3 Trifluoromethyl radical cf3  
1316 CF3- Trifluoromethyl anion cf3-  
1317 CF3+ Trifluoromethyl cation cf3+  
1318 CF2Cl difluorochloromethyl radical cf2cl  
1319 SiF3 Silicon trifluoride radical sif3  
1320 SiF3+ Silicon trifluoride cation sif3+  
1321 CFCl2 dichlorofluoromethyl radical cfcl2  
1322 CCl3 Trichloromethyl radical ccl3  
1323 CCl3- Trichloromethyl anion ccl3-  
1324 CCl3+ Trichloromethyl cation ccl3+  
1325 SiCl3 trichlorosilyl radical sicl3  
1326 SiCl3+ trichlorosilyl cation sicl3+  
1327 CBr3 tribromomethyl radical cbr3  
1328 FOOF Perfluoroperoxide foof  
1329 ClO2F Chloryl fluoride clo2f  
1330 F2SO Thionyl Fluoride f2so  
1331 ClOOCl Dichlorine dioxide cloocl  
1332 FSSF Difluorodisulfane fssf  
1333 S2F2 Thio-thionyl fluoride s2f2  
1334 SOCl2 thionyl chloride socl2  
1335 SSCl2 Thiothionyl chloride sscl2  
1336 SeOCl2 selenium oxychloride seocl2  
1337 NF3 Nitrogen trifluoride nf3  
1338 NF3- Nitrogen trifluoride anion nf3-  
1339 NF3+ Nitrogen trifluoride cation nf3+  
1340 PF3 Phosphorus trifluoride pf3  
1341 NCl3 nitrogen trichloride ncl3  
1342 AsF3 Arsenic trifluoride asf3  
1343 PCl3 Phosphorus trichloride pcl3  
1344 SbF3 Antimony Trifluoride sbf3  
1345 AsCl3 Arsenous trichloride ascl3  
1346 SbCl3 Antimony Trichloride sbcl3  
1347 NBr3 Nitrogen Tribromide nbr3  
1348 PBr3 Phosphorus tribromide pbr3  
1349 AsBr3 Arsenic tribromide asbr3  
1350 NI3 Nitrogen triiodide ni3  
1351 PI3 Phosphorus triiodide pi3  
1352 ClSSCl Disulfur dichloride s2cl2  
1353 SF3 Sulfur trifluoride sf3  
1354 ClF3 Chlorine trifluoride clf3  
1355 BrF3 Bromine trifluoride brf3  
1356 IF3 iodone trifluoride if3  
1357 HClO3 Chloric Acid hclo3  
1358 CHF3 Methane, trifluoro- chf3  
1359 CHF2Cl difluorochloromethane chf2cl  
1360 SiHF3 trifluorosilane sihf3  
1361 CHFCl2 fluorodichloromethane chfcl2  
1362 CDCl3 trichloromethane-d cdcl3  
1363 CHCl3 Chloroform chcl3  
1364 CHBrF2 Methane, bromodifluoro- chbrf2  
1365 SiHCl3 Trichlorosilane sihcl3  
1366 CHFClBr fluorochlorobromomethane chfclbr  
1367 CHBrCl2 Methane, bromodichloro- chbrcl2  
1368 CHF2I difluoroiodomethane chf2i  
1369 CHBr2F dibromofluoromethane chbr2f  
1370 CHFClI fluorochloroiodomethane chfcli  
1371 CHCl2I dichloroiodomethane chcl2i  
1372 CHClBr2 Methane, dibromochloro- chclbr2  
1373 CHBr3 bromoform chbr3  
1374 CHI3 Iodoform chi3  
1375 NF3H+ protonated nitrogen trifluoride nf3h+  
1376 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1377 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1378 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1379 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1380 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1381 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1382 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1383 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1384 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1385 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1386 C2H2Br2 1,1-dibromoethene c2h2br2  
1387 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1388 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1389 CH2FCHO Fluoroacetaldehyde ch2fcho  
1390 CH3COF Acetyl fluoride ch3cof  
1391 CH2ClCHO chloroacetaldehyde ch2clcho  
1392 CH3COCl Acetyl Chloride ch3cocl  
1393 C2H4F2 1,2-difluoroethane c2h4f2  
1394 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1395 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1396 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1397 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1398 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1399 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1400 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1401 CH2CFCH3 2-fluoropropene 2fpro  
1402 CH2CHCH2F Allyl Fluoride allylf  
1403 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1404 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1405 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1406 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1407 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1408 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1409 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1410 CH2FCH2CH3 1-Fluoropropane prf1  
1411 CH3CHFCH3 2-Fluoropropane prf2  
1412 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1413 CH3CHClCH3 Propane, 2-chloro- prcl2  
1414 CH3CH2CH2Br n-propyl bromide prbr  
1415 CH3CHBrCH3 i-propyl bromide iprbr  
1416 C3H9O+ trimethyl oxonium cation c3h9o+  
1417 B5H9 pentaborane9 b5h9  
1418 C5H4 pentatetraene ptrene  
1419 C5H5 cyclopentadienyl radical c5h5  
1420 C5H5- cylopentadienyl anion c5h5-  
1421 C5H6 1,3-Cyclopentadiene c542927  
1422 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1423 C5H6 3-Penten-1-yne, (E)- c2004695  
1424 C5H6 3-Penten-1-yne, (Z)- c1574409  
1425 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1426 C5H6 Cyclopropylacetylene c6746947  
1427 C5H6 Propellane propellane  
1428 C5H7 1,3-pentadienyl radical pdyl  
1429 C5H7 cyclopentenyl radical cpyl  
1430 C5H8 1,2-Butadiene, 3-methyl- c598254  
1431 C5H8 1,2-Pentadiene c591957  
1432 C5H8 1,3-Butadiene, 2-methyl- c78795  
1433 C5H8 1,3-Pentadiene, (E)- c2004708  
1434 C5H8 1,3-Pentadiene, (Z)- c1574410  
1435 C5H8 1,4-Pentadiene c591935  
1436 C5H8 1-pentyne a1pentyne  
1437 C5H8 2,3-Pentadiene c591968  
1438 C5H8 Bicyclo[1.1.1]pentane bcp  
1439 C5H8 Cyclobutane, methylene- c1120565  
1440 C5H8 Cyclopentene c142290  
1441 C5H8 Ethenylcyclopropane c693867  
1442 CH3CCCH2CH3 2-Pentyne 2pentyne  
1443 C5H10 1-Butene, 2-methyl- c563462  
1444 C5H10 2-Butene, 2-methyl- c513359  
1445 C5H10 2-Pentene, (E)- c646048  
1446 C5H10 2-Pentene, (Z)- c627203  
1447 C5H10 Cyclopentane c287923  
1448 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1449 CH2CHCH2CH2CH3 1-pentene pentene  
1450 C5H11 2-Methylbut-2-yl radical c4348350  
1451 C5H12 Butane, 2-methyl- buta2  
1452 C5H12 Pentane pentane  
1453 C5H12 Propane, 2,2-dimethyl- neopentane  
1454 Si(CH3)4 tetramethylsilane tms  
1455 N2O3 Dinitrogen trioxide n2o3  
1456 C3H2N2 Malononitrile c3h2n2  
1457 CH2N4 1H-Tetrazole 1htz  
1458 C3H3N2 imidazolyl radical im  
1459 C3H3N2- imidizolyl anion im-  
1460 C2H3N3 1H-1,2,4-Triazole c288880  
1461 C4H4N pyrrolide radical c4h4n  
1462 C4H4N- pyrrolide anion c4h4n-  
1463 C3H4N2 1H-Imidazole 1himidaz  
1464 C3H4N2 1H-Pyrazole 1hpyraz  
1465 C3H4N2 2H-Imidazole imid2h  
1466 C3H4N2 4H-Imidazole imid4h  
1467 C4H5N (E)-2-Butenenitrile c627269  
1468 C4H5N (Z)-2-Butenenitrile c1190767  
1469 C4H5N 2H-pyrrole pyrrole2  
1470 C4H5N 3H-pyrrole pyrrole3  
1471 C4H5N Cyclopropanecarbonitrile c5500210  
1472 C4H5N Pyrrole pyrrole  
1473 CH2CHCH2CN Allylcyanide ch2chch2cn  
1474 C4H6N+ pyrrole, alpha-protonated appyr  
1475 C4H6N+ pyrrole, beta-protonated bppyr  
1476 C4H6N+ pyrrole, protonated ppyr  
1477 C3H6N2 3-Aminopropionitrile c151188  
1478 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1479 CH3CH2CH2CN Butanenitrile c109740  
1480 C5H8 Bicyclo[2.1.0]pentane c185944  
1481 C5H8 Spiropentane c157404  
1482 C4H9N Cyclobutylamine cbam  
1483 C4H9N Pyrrolidine pyrrolidine  
1484 C3H10N2 1,2-Diaminopropane diampr12  
1485 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1486 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1487 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1488 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1489 NH(C2H5)2 diethylamine dea  
1490 NC4H12+ tetramethyl ammonium cation nc4h12+  
1491 C3O2 Carbon suboxide c3o2  
1492 C3O2+ Carbon suboxide cation c3o2+  
1493 B2O3 diboron trioxide b2o3  
1494 MgCO3 Magnesium Carbonate mgco3  
1495 BeCO3 Beryllium Carbonate beco3  
1496 CaCO3 Calcium Carbonate caco3  
1497 ONONO Nitrosyl nitrite onono  
1498 PO4--- phosphate po4---  
1499 SO4-- sulfate so4--  
1500 HOONO2 peroxy nitric acid hoono2  
1501 HSO4- bisulfate anion hso4-  
1502 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1503 C3H2O2 Propiolic acid c3h2o2  
1504 CHOCOOH oxo acetic acid oaa  
1505 CHOOCHO diformyl ether choocho  
1506 H2SO4 Sulfuric acid h2so4  
1507 H2SeO4 Selenic acid h2seo4  
1508 C3H3NO Isoxazole isox  
1509 C3H3NO Oxazole oxazole  
1510 C3H3NS Thiazole thiazole  
1511 CH3C(O)OO acetyl peroxy radical ch3coo2  
1512 CH3NO3 Methyl nitrate ch3no3  
1513 H3PO4 Phosphoric Acid h3po4  
1514 C4H4O Furan furan  
1515 C4H4O+ Furan cation furan+  
1516 CH3COCCH 3-butyn-2-one c1423605  
1517 C4H4S Thiophene furans  
1518 C4H4Se selenophene c4h4se  
1519 C3H4O2 β–Propiolactone beta  
1520 C3H4O2 2-Propenoic acid propenoic2  
1521 C3H4O2 Methyl glyoxal megly  
1522 C3H4O2 propanedial propanedial  
1523 C3H4O2 propenalol propenalol  
1524 HOCHCCHOH allenediol aldiol  
1525 C2H4O3 1,2,3-trioxolane c2h4o3  
1526 C2H4O3 trioxolane124 triox  
1527 HOCH2COOH Hydroxyacetic acid hac  
1528 CH2CHCONH2 Acrylamide c79061  
1529 CH3OCH2CN Methoxyacetonitrile c1738369  
1530 CH5N3S Hydrazinecarbothioamide c79196  
1531 H2NCH2COOH Glycine glycine  
1532 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1533 C4H6O cis-2-butenal butenal2c  
1534 C4H6O Cyclobutanone cbutone  
1535 C4H6O Furan, 2,3-dihydro- furan23h  
1536 C4H6O Furan, 2,5-dihydro- furan25h  
1537 CH2CHOCHCH2 Vinyl ether vinylether  
1538 CHOCHCHCH3 2-Butenal butenal2  
1539 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1540 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1541 CH2CHSCHCH2 Divinyl sulfide divis  
1542 C2H6N2O Urea, methyl- c598505  
1543 C3H6O2 1,3-Dioxolane dioxolane  
1544 CH3CH2COOH Propanoic Acid propanoic  
1545 CH3COOCH3 methyl acetate aame  
1546 HCOOC2H5 Ethyl formate faee  
1547 C2H6O2S Dimethyl sulfone c67710  
1548 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1549 C3H7NO dimethylformamide dmf  
1550 C3H7NO Propanamide propanam  
1551 C2H3OC2H5 Ethene, ethoxy- c109922  
1552 C4H8O Cyclobutanol c2919235  
1553 C4H8O Furan, tetrahydro- thf  
1554 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1555 CH3COCH2CH3 2-Butanone buta2one  
1556 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1557 CHOCH2CH2CH3 Butanal butanal  
1558 C4H8S Thiophene, tetrahydro- tht  
1559 C3H8O2 1,3-Propanediol c504632  
1560 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1561 C3H8O2 Methane, dimethoxy- c109875  
1562 C3H8O2 Propylene glycol c57556  
1563 C3H8S2 1,3-Propanedithiol c109808  
1564 C4H10O 1-Butanol butanol1  
1565 C4H10O 1-Propanol, 2-methyl- c78831  
1566 C4H10O 2-Butanol, (.+/-.)- butanol2  
1567 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1568 C4H10O Ethoxy ethane etoet  
1569 C4H10O Methyl propyl ether meopr  
1570 C4H10O Propane, 2-methoxy- c598538  
1571 C4H10O+ 1-Butanol cation butanol1+  
1572 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1573 C2H5SC2H5 Diethyl sulfide etset  
1574 C4H9SH 1-Butanethiol bush  
1575 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1576 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1577 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1578 FNO3 Fluorine nitrate fno3  
1579 ClONO2 Chlorine nitrate clono2  
1580 BrONO2 Bromine nitrate brono2  
1581 TiCl4 Titanium tetrachloride ticl4  
1582 ClO4- perchlorate anion clo4-  
1583 BF4- tetrafluoroboron anion bf4-  
1584 ClFO3 Perchloryl fluoride clfo3  
1585 SO2F2 Sulfuryl fluoride so2f2  
1586 SO2Cl2 Sulfuryl chloride so2cl2  
1587 F3NO Nitrogen trifluoride oxide f3no  
1588 F3PO Phosphoryl fluoride pf3o  
1589 Cl3PO Phosphoryl chloride pcl3o  
1590 CF4 Carbon tetrafluoride cf4  
1591 CF3Cl Methane, chlorotrifluoro- cf3cl  
1592 SiF4 Silicon tetrafluoride sif4  
1593 CF2Cl2 difluorodichloromethane cf2cl2  
1594 TiF4 Titanium tetrafluoride tif4  
1595 CFCl3 Trichloromonofluoromethane cfcl3  
1596 CF3Br Bromotrifluoromethane cf3br  
1597 GeF4 Germanium tetrafluoride gef4  
1598 CCl4 Carbon tetrachloride ccl4  
1599 CCl4+ Carbon tetrachloride cation ccl4+  
1600 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1601 SiCl4 Silane, tetrachloro- sicl4  
1602 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1603 CF3I trifluoroiodomethane cf3i  
1604 CBrCl3 Methane, bromotrichloro- cbrcl3  
1605 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1606 GeCl4 Germanium Tetrachloride gecl4  
1607 CBr2ClF dibromochlorofluoromethane cbr2clf  
1608 CBr2Cl2 dibromodichloromethane cbr2cl2  
1609 CCl3I trichloroiodomethane ccl3i  
1610 CFBr3 fluorotribromomethane cfbr3  
1611 CFClBrI fluorochlorobromoiodomethane cfclbri  
1612 CBr3Cl tribromochloromethane cbr3cl  
1613 CF2I2 difluorodiiodomethane cf2i2  
1614 CBr4 Carbon tetrabromide cbr4  
1615 CCl2I2 dichlorodiiodomethane ccl2i2  
1616 SiBr4 Silicon tetrabromide sibr4  
1617 CBr3I tribromoiododmethane cbr3i  
1618 GeBr4 Germanium tetrabromide gebr4  
1619 CI4 tetraiodomethane ci4  
1620 SiI4 silicon tetraiodide sii4  
1621 ClOF3 Chlorine trifluoride oxide clof3  
1622 SF4 Sulfur tetrafluoride sf4  
1623 SeF4 Selenium tetrafluoride sef4  
1624 SCl4 Sulfur tetrachloride scl4  
1625 C2HF3 Trifluoroethylene c2hf3  
1626 C2HF3+ Trifluoroethylene cation c2hf3+  
1627 CHClCCl2 Trichloroethylene chclccl2  
1628 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1629 HClO4 perchloric acid hclo4  
1630 HSO3F Fluorosulfonic acid hso3f  
1631 CF3OH trifluoromethanol cf3oh  
1632 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1633 CHClCCHCl 1,3-dichloroallene chclcchcl  
1634 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1635 CHCl2CHO dichloroacetaldehyde chcl2cho  
1636 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1637 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1638 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1639 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1640 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1641 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1642 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1643 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1644 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1645 NH3BCl3 Amminetrichloroboron nh3bcl3  
1646 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1647 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1648 C3H5ClO Oxirane, (chloromethyl)- c106898  
1649 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1650 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1651 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1652 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1653 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1654 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1655 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1656 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1657 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1658 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1659 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1660 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1661 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1662 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1663 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1664 C4H9F 1-fluorobutane butaf1  
1665 CH3CHFCH2CH3 2-fluorobutane butaf2  
1666 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1667 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1668 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1669 XeF4 Xenon tetrafluoride xef4  
1670 C2H2N2O Furazan furazan  
1671 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1672 NH3BF3 Amminetrifluoroboron nh3bf3  
1673 C6H2 hexatriyne c6h2  
1674 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1675 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1676 C6H4 Benzyne benzyne  
1677 C6H5 phenyl phenyl  
1678 C6H5- phenyl anion phenyl-  
1679 C6H6 Prismane prismane  
1680 C6H6 1,2,4,5-Hexatetraene ht1245  
1681 C6H6 2,4-Hexadiyne hexadiyne  
1682 C6H6 3,4-Dimethylenecyclobutene cb34m  
1683 C6H6 Benzene benzene  
1684 C6H6 Benzvalene bv  
1685 C6H6 Dewar Benzene dewar  
1686 C6H6 Hexa-1,5-diene-3-yne hdy153  
1687 C6H6 Trimethylenecycopropane tmcp  
1688 C6H6+ Benzene cation c6h6+  
1689 C6H7+ benzene, protonated c6h7+  
1690 C6H8 (E)-hexa-1,3,5-triene c821078  
1691 C6H8 (E)-hexa-2,3,4-triene c59660650  
1692 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1693 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1694 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1695 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1696 C6H8 3-Methylenecyclopentene c930267  
1697 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1698 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1699 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1700 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1701 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1702 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1703 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1704 C6H10 1,5-Hexadiene c592427  
1705 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1706 C6H10 1-Hexyne hexyne1  
1707 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1708 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1709 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1710 C6H10 2-Hexyne c764352  
1711 C6H10 3-Hexyne hexyne3  
1712 C6H10 cyclohexene cyclohexene  
1713 C6H10 Cyclopentene, 1-methyl- c693890  
1714 C6H10 Cyclopentene, 3-methyl- c1120623  
1715 C6H10 Cyclopentene, 4-methyl- c1759815  
1716 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1717 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1718 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1719 C6H12 (E)-2-Hexene e2hexene  
1720 C6H12 (E)-3-methylpent-2-ene c616126  
1721 C6H12 (E)-hex-3-ene e3hexene  
1722 C6H12 (Z)-3-methylpent-2-ene c922623  
1723 C6H12 (Z)-hex-2-ene z2hexene  
1724 C6H12 (Z)-hex-3-ene z3hexene  
1725 C6H12 2,3-dimethylbut-1-ene c563780  
1726 C6H12 2,3-dimethyl-but-2-ene tmeet  
1727 C6H12 3-methylenepentane c760214  
1728 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1729 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1730 C6H12 Cyclohexane cyclohexane  
1731 C6H12 Cyclopentane, methyl- c96377  
1732 C6H12 Ethylcyclobutane c4806615  
1733 C6H12 hex-1-ene hexene1  
1734 C6H14 Butane, 2,2-dimethyl- buta22  
1735 C6H14 Butane, 2,3-dimethyl- buta23  
1736 C6H14 Hexane hexane  
1737 C6H14 Pentane, 2-methyl- penta2  
1738 C6H14 Pentane, 3-methyl- penta3  
1739 C4N2 2-Butynedinitrile c4n2  
1740 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1741 C4H2N2 Fumaronitrile c4h2n2  
1742 C2H2N4 sym-tetrazine ttz  
1743 C3H3N3 1,3,5-Triazine triazine135  
1744 CH3N5 5-Aminotetrazole c4418615  
1745 C4H4N2 1,3-Diazine diazine13  
1746 C4H4N2 Pyrazine pyrazine  
1747 C4H4N2 Pyridazine pyridazine  
1748 C4H4N2 Succinonitrile c110612  
1749 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1750 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1751 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1752 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1753 C5H5N E-2,4-pentadienenitrile bdcn  
1754 C5H5N Pyridine pyridine  
1755 B3N3H6 borazine borazine  
1756 C6H6 Fulvene fulvene  
1757 C5H6N+ Pyridinium c5h6n  
1758 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1759 C5H7N (E)-2-Pentenenitrile c26294984  
1760 C5H7N (E)-3-Pentenenitrile c16529661  
1761 C5H7N (Z)-2-Pentenenitrile c25899507  
1762 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1763 C5H7N Cyclobutanecarbonitrile c4426113  
1764 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1765 C5H9N Butanenitrile, 2-methyl- c18936179  
1766 C5H9N Pentanenitrile c110598  
1767 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1768 C6H10 Bicyclo[3.1.0]hexane c285585  
1769 C5H11N Cyclopentanamine cypentam  
1770 C5H11N Piperidine piper  
1771 C4H12N2 1,2-Butanediamine c4426486  
1772 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1773 Li2CO3 Lithium Carbonate li2co3  
1774 Na2CO3 Sodium Carbonate na2co3  
1775 C2O4-- oxalate anion c2o4  
1776 MgSO4 Magnesium Sulfate mgso4  
1777 N2O4 Dinitrogen tetroxide n2o4  
1778 C3H2O3 vinylene carbonate vica  
1779 C2H2O4 Oxalic Acid oxalic  
1780 C2H3NO3 Oxamic acid oxamic  
1781 C4H4O2 2(5H)-Furanone furanone  
1782 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1783 C2H4N2O2 Oxalamide oxalamide  
1784 C2H4N2S2 Ethanedithioamide c79403  
1785 C2H4CO3 Ethylene carbonate etco3  
1786 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1787 C3H4S3 1,3-Dithiolane-2-thione c822388  
1788 C2H4O4 Formic acid dimer fadimer  
1789 C4H5NO 3-Methylisoxazole isox3m  
1790 C4H5NO Isoxazole, 5-methyl- c5765446  
1791 C4H5NS 4-Methylthiazole c693958  
1792 C2H5NO3 Nitric acid, ethyl ester c625581  
1793 C5H6O 2H-Pyran pyran2  
1794 C5H6O 2-methylfuran furan2m  
1795 C5H6O 3-Methylfuran furan3m  
1796 C5H6O Pentadienal pdal  
1797 C5H6S Thiophene, 2-methyl- c554143  
1798 C5H6S Thiophene, 3-methyl- c616444  
1799 C4H6O2 γ–Butyrolactone c96480  
1800 C4H6O2 2,3-Butanedione c431038  
1801 C4H6O2 2-Propenoic acid, methyl ester c96333  
1802 C4H6O2 Crotonic Acid crot  
1803 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1804 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1805 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1806 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1807 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1808 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1809 C4H6OS Vinyl sulfoxide c1115157  
1810 CH6N4S Carbonothioic dihydrazide thiacarb  
1811 C2H6N2O2 (E)-Azodioxymethane c37765154  
1812 C2H6N2O2 Dimethylnitroamine c4164287  
1813 C3H6O3 1,3,5-Trioxane trioxane  
1814 C3H6S3 1,3,5-Trithiane c3h6s3  
1815 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1816 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1817 C4H7NO 2-Pyrrolidinone c616455  
1818 C4H7NO Ethoxyacetonitrile etoaccn  
1819 C4H7NO Methacrylamide c79390  
1820 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1821 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1822 C3H7ONO Propyl nitrite prono  
1823 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1824 CH3CH(NH2)COOH Alanine alanine  
1825 CH3NHCH2COOH Sarcosine sarcosine  
1826 NH2CH2CH2COOH β–alanine betaalanine  
1827 NH2COOC2H5 Urethane urethane  
1828 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1829 C5H8O Cyclopentanone c120923  
1830 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1831 C5H8O Methyl cyclopropyl ketone c765435  
1832 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1833 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1834 NH2CONHC2H5 Urea, ethyl- c625525  
1835 C4H8O2 1,3-Dioxane dioxan13  
1836 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1837 C4H8O2 1,4-Dioxane dioxan14  
1838 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1839 C4H8O2 Ethyl acetate c141786  
1840 C4H8OS s-Ethyl thioacetate c625605  
1841 C3H8O3 1,2,3-Propanetriol glycerin  
1842 C3H8O2S (Methylsulfonyl)ethane c594434  
1843 C4H9NO Butanamide c541355  
1844 C4H9NO Propanamide, 2-methyl- c563837  
1845 C5H10O 2-Butanone, 3-methyl- c563804  
1846 C5H10O 2H-Pyran, tetrahydro- c142687  
1847 C5H10O 2-methylbutyraldehyde 2meba  
1848 C5H10O 2-Pentanone mpk  
1849 C5H10O 3-Pentanone dek  
1850 C5H10O Cyclopentanol c96413  
1851 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1852 C5H10O Pentanal pal  
1853 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1854 C5H10S 3-Ethylthio-1-propene c5296628  
1855 C5H10S Cyclopentanethiol c1679078  
1856 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1857 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1858 C4H10O2 1,1-Dimethoxyethane c534156  
1859 C4H10O2 1,3-Butanediol budiol13  
1860 C4H10O2 1,4-Butanediol budiol14  
1861 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1862 C4H10OS Diethyl sulfoxide c70291  
1863 C4H10S2 1,4-Butanedithiol budisl14  
1864 C4H11NO Diethylhydroxylamine c3710847  
1865 C5H12O 1-Butanol, 2-methyl- c137326  
1866 C5H12O 1-Butanol, 3-methyl- c123513  
1867 C5H12O 1-Pentanol pentanol1  
1868 C5H12O 2-Butanol, 3-methyl- c598754  
1869 C5H12O 2-Pentanol peol2  
1870 C5H12O 3-Pentanol pentan3ol  
1871 C5H12O Butane, 1-methoxy- meobu  
1872 C5H12O Propane, 1-ethoxy- proet  
1873 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1874 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1875 C5H12S 1-Butanethiol, 3-methyl- c541311  
1876 C5H12S 1-Pentanethiol c110667  
1877 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1878 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1879 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1880 C5H12S Butane, 1-(methylthio)- c628295  
1881 C5H12S Ethyl propyl sulfide c4110503  
1882 C5H12S Propane, 2-(ethylthio)- c5145993  
1883 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1884 C4F2 difluorobutadiyne c4f2  
1885 ClCOClCO Oxalyl chloride oxcl  
1886 CF3CN Acetonitrile, trifluoro- cf3cn  
1887 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1888 B2F4 Diboron tetrafluoride b2f4  
1889 B2Cl4 Diboron tetrachloride b2cl4  
1890 C2F4 Tetrafluoroethylene c2f4  
1891 C2F4+ Tetrafluoroethylene cation c2f4+  
1892 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1893 CF2CCl2 difluorodichloroethylene cf2ccl2  
1894 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1895 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1896 C2FCl3 fluorotrichloroethene c2fcl3  
1897 C2Cl4 Tetrachloroethylene c2cl4  
1898 C2Br4 tetrabromoethene c2br4  
1899 CF3OF Trifluoromethylhypofluorite cf3of  
1900 SiF5- silicon pentafluoride anion sif5-  
1901 SOF4 Sulfur tetrafluoride oxide sof4  
1902 PF5 Phosphorus pentafluoride pf5  
1903 AsF5 Arsenic pentafluoride asf5  
1904 PCl5 Phosphorus pentachloride pcl5  
1905 SF5 Sulfur pentafluoride sf5  
1906 SF5+ pentafluoro sulfur cation sf5+  
1907 SbCl5 Antimony pentachloride sbcl5  
1908 BrF5 bromine pentafluoride brf5  
1909 ClF5 chlorinepentafluoride clf5  
1910 IF5 pentafluoroiodine if5  
1911 CF3CHO trifluoroacetaldehyde cf3cho  
1912 CCl3CHO trichloroacetaldehyde ccl3cho  
1913 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1914 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1915 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1916 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1917 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1918 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1919 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1920 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1921 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1922 CF3COOH trifluoroacetic acid cf3cooh  
1923 C4H3ClO Furan, 2-chloro fur2cl  
1924 C4H3ClO Furan,3-chloro fur3cl  
1925 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1926 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1927 C4H8Cl2 1,4-Dichlorobutane c110565  
1928 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1929 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1930 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1931 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1932 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1933 C5H11Cl Pentane, 1-chloro- pencl1  
1934 C4H8O2 Butanoic acid bua  
1935 C6H5CH2 benzyl radical benzyl  
1936 C7H7 cycloheptatrienyl radical c7h7  
1937 C7H7+ cycloheptatrienyl cation c7h7+  
1938 C6H5CH3 toluene toluene  
1939 C7H8 cycloheptatriene cht  
1940 C7H8 Norbornadiene norbor  
1941 C7H8 Quadricyclane qucy  
1942 C7H12 Norbornane nor  
1943 C7H14 cycloheptane c7h14  
1944 C7H16 2-methylhexane 2mhex  
1945 C7H16 3-methylhexane hex3m  
1946 C7H16 heptane heptane  
1947 CH(CN)3 tricyanomethane mecn3  
1948 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1949 C6H7N 2-Methylpyridine mp  
1950 C6H5NH2 aniline aniline  
1951 C6H13N 2-Methylpiperidine pip2m  
1952 C6H13N cyclohexanamine cham  
1953 C6H15N triethylamine tea  
1954 N2O5 Dinitrogen pentoxide n2o5  
1955 C4H2O3 Maleic Anhydride malan  
1956 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1957 C5H4O2 furfural furfural  
1958 C6H5O phenoxy radical phenoxy  
1959 C5H5NO 2(1H)-Pyridinone c72762006  
1960 C5H5NO 2(3H)-Pyridinone c9000048  
1961 C5H5NO 2(5H)-Pyridinone c9000037  
1962 C5H5NO 2-Pyridinol c109104  
1963 C5H5NO 3(2H)-Pyridinone c9000004  
1964 C5H5NO 3(4H)-Pyridinone c9000026  
1965 C5H5NO 3(6H)-Pyridinone c9000015  
1966 C5H5NO 3-Pyridinol c109002  
1967 C5H5NO 4(1H)-Pryidinone c9000060  
1968 C5H5NO 4(3H)-Pryidinone c9000059  
1969 C5H5NO 4-Pyridinol c626642  
1970 C6H5OH phenol phenol  
1971 C6H6O 2,4-Cyclohexadienone c24599573  
1972 C6H6O 2,5-Cyclohexadienone c5664335  
1973 C6H5SH Benzenethiol phsh  
1974 HO2CCHNH2CH2OH Serine serine  
1975 C5H8O2 Acetylacetone acac  
1976 C4H8O2S Sulfolane sulfolane  
1977 C7H10 Norbornene norbornene  
1978 CH(C2H3)3 trivinyl methane tvm  
1979 C6H10O cyclohexanone chexo  
1980 C6H12O hexanal c6h12o  
1981 C6H12O Oxepane oxepane  
1982 C3H7OC3H7 di-n-propyl ether propr  
1983 F2CCCF2 tetrafluoroallene pfa  
1984 CF3COO- trifluoro acetate anion cf3coo-  
1985 CF3COF trifluoroacetyl fluoride cf3cof  
1986 CF3COCl trifluoroacetyl chloride cf3cocl  
1987 PF6 Hexafluorophosphate neutral pf6  
1988 PF6- Hexafluorophosphate ion pf6-  
1989 SF6 Sulfur Hexafluoride sf6  
1990 SeF6 Selenium hexafluoride sef6  
1991 SF5Cl sulfur chloropentafluoride sf5cl  
1992 CF3CHF2 pentafluoroethane cf3chf2  
1993 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1994 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1995 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1996 CCl3CHCl2 pentachloroethane ccl3chcl2  
1997 C6H5F Fluorobenzene bzf  
1998 C6H5Cl chlorobenzene bzcl  
1999 C6H5Br bromobenzene bzbr  
2000 C8H6 Calicene calicene  
2001 C6H5CCH phenylacetylene phac  
2002 C8H6 benzocyclobutadiene bcbd  
2003 C8H6 Pentalene pentalene  
2004 C6H5CHCH2 Styrene styrene  
2005 C8H8 cubane cubane  
2006 C8H8 cyclooctatetraene cot  
2007 C6H5CH2CH3 Ethylbenzene etbz  
2008 CH3C6H4CH3 meta-xylene mxylene  
2009 CH3C6H4CH3 paraxylene pxylene  
2010 C8H14 Bicyclo[2.2.2]octane bico222  
2011 C8H16 cyclooctane cyclooct  
2012 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2013 C8H18 Octane c8h18  
2014 C6H5CN phenyl cyanide phcn  
2015 C6H12N2 Triethylenediamine ted  
2016 C4O4-- squarate dianion c4o4--  
2017 S4N4 Tetrasulfur tetranitride s4n4  
2018 S8 Octasulfur s8  
2019 C6H4O2 parabenzoquinone pbq  
2020 C4H4N2O2 Uracil uracil  
2021 C6H5CHO benzaldehyde benzal  
2022 C6H5OCH3 Anisole anisole  
2023 C5H9NO2 Proline proline  
2024 C6H12O2 Methyl pivalate c598981  
2025 C6H12O2 Hexanoic acid hexa  
2026 C4F4 tetrafluorcyclobutadiene c4f4  
2027 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2028 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2029 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2030 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2031 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2032 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2033 C2Cl6 hexachloroethane c2cl6  
2034 IF7 Iodine heptafluoride if7  
2035 C6H4F2 metadifluorobenzene mdfb  
2036 C6H4F2 orthodifluorobenzene odfb  
2037 C6H4F2 1,4-difluorobenzene pdfb  
2038 C6H4Cl2 1,2-dichlorobenzene dcb12  
2039 C6H4Cl2 1,3-dichlorobenzene dcb13  
2040 C6H4Cl2 1,4-dichlorobenzene dcb14  
2041 C6H5NO nitrosobenzene bzno  
2042 C9H8 Indene indene  
2043 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2044 C9H12 n-propyl benzene prbz  
2045 C9H20 Nonane nonane  
2046 C(CN)4 tetracyanomethane c5n4  
2047 C5H4N4 purine purine  
2048 C8H7N Indole indole  
2049 C3H3N3O3 cyanuric acid cyanuric  
2050 C6H5NO2 Nitrobenzene c6h5no2  
2051 C6H5COOH benzoic acid benzo  
2052 CH3COC6H5 acetophenone acph  
2053 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2054 C3F6 hexafluoropropene c3f6  
2055 C6H3F3 Benzene trifluoride 123 bzf3a  
2056 C8H18O 1-Octanol octanol  
2057 C10H8 Azulene azu  
2058 C10H8 naphthalene naph  
2059 C10H10 bullvalene bullv  
2060 C10H16 adamantane adamantane  
2061 C6N4 Tetracyanoethylene tcne  
2062 C6N4- tetracyanoethylene anion tcne-  
2063 C10H22 Decane decane  
2064 C4F6 perfluorobutadiene c4f6  
2065 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2066 C3F8 perfluoropropane c3f8  
2067 Fe(CO)5 Iron pentacarbonyl ipc  
2068 Fe(C5H5)2 ferrocene fecp2  
2069 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2070 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2071 C12H8 Acenaphthylene acenaph  
2072 C12H8 biphenylene biph  
2073 C12H10 biphenyl biphenyl  
2074 C12H10 Heptalene heptalene  
2075 C6H12O6 Inositol inositol  
2076 C6F6 hexafluorobenzene c6f6  
2077 S2F10 disulphur decafluoride s2f10  
2078 C13H10 Fluorene fluorene  
2079 C14H10 Anthracene anth  
2080 C14H10 Phenanthrene phenanthrene  
2081 C14H14 Bibenzyl bibenzyl  
2082 C12H10N2 azobenzene azobenzene  
2083 C6H5COC6H5 benzophenone benzophenone  
2084 C16H10 Pyrene pyrene  
2085 C18H12 Tetracene tetracene  
2086 C19H16 Triphenylmethane tpm  
2087 C24H12 Coronene coronene  
2088 C60 Buckminsterfullerene c60