return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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List of which calculations are completed at CISD /6-31G(2df,p)

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 He Helium atom 1SKh
3 Li Lithium atom 2SKh
4 Na Sodium atom 2SKh
5 K Potassium atom 2SKh
6 Cu Copper atom 2SKh
7 LiH Lithium Hydride 1ΣC∞v
8 Be Beryllium atom 1SKh
9 Be+ Beryllium atom cation 2SKh
10 Mg Magnesium atom 1SKh
11 Mg+ Magnesium atom cation 2SKh
12 Ca Calcium atom 1SKh
13 Zn Zinc atom 1SKh
14 CaH Calcium monohydride 2ΣC∞v
15 B Boron atom 2PKh
16 B Boron atom 4PKh
17 B+ Boron atom cation 1SKh
18 Al Aluminum atom 2PKh
19 Al+ Aluminum atom cation 1SKh
20 C Carbon atom 3P0Kh
21 C Carbon atom 3P1Kh
22 C+ Carbon atom cation 2PKh
23 Si Silicon atom 3PKh
24 Si Silicon atom 1SKh
25 Si+ Silicon atom cation 2PKh
26 Ti Titanium atom 3FKh
27 CH4 Methane 1A1Td
28 N Nitrogen atom 4SKh
29 N Nitrogen atom 2DKh
30 N+ Nitrogen atom cation 3PKh
31 P Phosphorus atom 4SKh
32 NH3 Ammonia 1A1C3v
33 O Oxygen atom 3SKh
34 O+ Oxygen atom cation 4SKh
35 S Sulfur atom 3PKh
36 OH Hydroxyl radical 2ΠC∞v
37 H2O Water 1A1C2v
38 F Fluorine atom 2PKh
39 F+ Fluorine atom cation 3SKh
40 Cl Chlorine atom 2PKh
41 Cl+ Chlorine atom cation 3PKh
42 Br Bromine atom 2PKh
43 HF Hydrogen fluoride 1ΣC∞v
44 HCl Hydrogen chloride 1ΣC∞v
45 Ne Neon atom 1SKh
46 Ne+ Neon atom cation 2PKh
47 Ar Argon atom 1SKh
48 Na2 Sodium diatomic 1ΣgD∞h
49 C2H2 Acetylene 1ΣgD∞h
50 C2H4 Ethylene 1AgD2h
51 C2H6 Ethane 1A1gD3d
52 BN boron nitride 3ΠC∞v
53 AlN Aluminum nitride 3ΠiC∞v
54 N2 Nitrogen diatomic 1ΣgD∞h
55 N2H2 (E)-diazene 1AgC2h
56 CaO Calcium monoxide 1ΣC∞v
57 BO- boron monoxide anion 1ΣC∞v
58 CO Carbon monoxide 1ΣC∞v
59 NO Nitric oxide 2ΠC∞v
60 O2 Oxygen diatomic 3ΣgD∞h
61 CaOH Calcium monohydroxide 2Σ+C∞v
62 H2CO Formaldehyde 1A1C2v
63 LiBr Lithium Bromide 1ΣC∞v
64 NaBr Sodium Bromide 1ΣC∞v
65 CaF Calcium monofluoride 2ΣC∞v
66 CaCl calcium monochloride 2ΣC∞v
67 BF Boron monofluoride 1ΣC∞v
68 CF- carbon monofluoride anion 3ΣC∞v
69 F2 Fluorine diatomic 1ΣgD∞h
70 Cl2 Chlorine diatomic 1ΣgD∞h
71 C3H5 Allyl radical 2A2C2v
72 C3H6 Cyclopropane 1A1'D3h
73 CH2CHCH3 Propene 1A'Cs
74 HN3 hydrogen azide 1A'Cs
75 CH2NN diazomethane 1A1C2v
76 NH2CN cyanamide 1A'Cs
77 NHCHNH2 aminomethanimine 1AC1
78 CO2 Carbon dioxide 1ΣgD∞h
79 SO2 Sulfur dioxide 1A1C2v
80 C2H2O Oxirene 1A1C2v
81 FCN Cyanogen fluoride 1ΣC∞v
82 CaF2 Calcium difluoride 1ΣgC2v
83 HCCF Fluoroacetylene 1ΣC∞v
84 C2H5F fluoroethane 1A'Cs
85 C4 Carbon tetramer 3ΣgD∞h
86 CH2CHCHO Acrolein 1A'Cs
87 C2F2 difluoroacetylene 1ΣgD∞h
88 BF3 Borane, trifluoro- 1A'D3h
89 AlF3 Aluminum trifluoride 1A1'D3h
90 N2O3 Dinitrogen trioxide 1A'Cs
91 CaCO3 Calcium Carbonate 1A1C2v
92 TiCl4 Titanium tetrachloride 1A1Td
93 SF4 Sulfur tetrafluoride 1A1C2v

Species NOT done yet
count Species Name file name problem
1 D Deuterium atom d  
2 D- Deuterium atom anion d-  
3 D+ Deuterium atom cation d+  
4 H Hydrogen atom h  
5 H- Hydrogen atom anion h-  
6 H+ Hydrogen atom cation h+  
7 D2 Deuterium diatomic d2  
8 H2- hydrogen diatomic anion h2-  
9 H2+ Hydrogen cation h2+  
10 HD Deuterium hydride hd  
11 H3+ hydrogen trimer cation h3+  
12 He- Helium atom anion he-  
13 He+ Helium atom cation he+  
14 HeH Helium hydride heh  
15 HeH+ Helium hydride cation heh+  
16 He2+ helium diatomic cation he2+  
17 Li- Lithium atom anion li-  
18 Li+ Lithium atom cation li+  
19 Na- Sodium atom anion na-  
20 Na+ Sodium atom cation na+  
21 K- Potassium atom anion k-  
22 K+ Potassium atom cation k+  
23 Cu- Copper atom anion cu-  
24 Cu+ Copper atom cation cu+  
25 LiH- lithium hydride anion lih-  
26 LiH+ lithium hydride cation lih+  
27 NaH sodium hydride nah  
28 NaH- sodium hydride anion nah-  
29 NaH+ sodium hydride cation nah+  
30 KH Potassium hydride kh  
31 KH+ Potassium hydrogen cation kh+  
32 CuH Copper monohydride cuh  
33 Be- Beryllium atom anion be-  
34 Mg- Magnesium atom anion mg-  
35 Ca- Calcium atom anion ca-  
36 Ca+ Calcium atom cation ca+  
37 Zn- Zinc atom anion zn-  
38 Zn+ Zinc atom cation zn+  
39 BeH beryllium monohydride beh  
40 BeH- berylium monohydride anion beh-  
41 BeH+ beryllium monohydride cation beh+  
42 MgH magnesium monohydride mgh  
43 MgH- magnesium monohydride anion mgh-  
44 MgH+ magnesium monohydride cation mgh+  
45 CaH+ Calcium monohydride cation cah+  
46 TiH Titanium monohydride tih  
47 ZnH Zinc monohydride znh  
48 ZnH+ Zinc, protonated znh+  
49 BeH2 beryllium dihydride beh2  
50 BeH2+ Beryllium dihydride cation beh2+  
51 MgH2 magnesium dihydride mgh2  
52 CaH2 Calcium Hydride cah2  
53 ZnH2 Zinc hydride znh2  
54 B- Boron atom anion b-  
55 Al- Aluminum atom anion al-  
56 Sc Scandium atom sc  
57 Sc+ Scandium cation sc+  
58 Ga Gallium atom ga  
59 Ga- Gallium atom anion ga-  
60 Ga+ Gallium atom cation ga+  
61 BH Boron monohydride bh  
62 BH- boron monohydride anion bh-  
63 BH+ boron monohydride cation bh+  
64 AlH aluminum monohydride alh  
65 AlH- aluminum monohydride anion alh-  
66 AlH+ aluminum monohydride cation alh+  
67 ScH Scandium monohydride sch  
68 ScH+ Scandium monohydride cation sch+  
69 GaH Gallium monohydride gah  
70 GaH+ Gallium monohydride cation gah+  
71 BH2 boron dihydride bh2  
72 BH2- boron dihydride anion bh2-  
73 BH2+ Boron dihydride cation bh2+  
74 AlH2 aluminum dihydride alh2  
75 AlH2- aluminum dihydride anion alh2-  
76 AlH2+ aluminum dihydride cation alh2+  
77 BH3 boron trihydride bh3  
78 BH3- boron trihydride anion bh3-  
79 BH3+ boron trihydride cation bh3+  
80 AlH3 aluminum trihydride alh3  
81 AlH3- aluminum trihydride anion alh3-  
82 AlH3+ aluminum trihydride cation alh3+  
83 ScH3 Scandium trihydride sch3  
84 GaH3 Gallium trihydride gah3  
85 BH4 borohydride bh4  
86 BH4- borohydride anion bh4-  
87 AlH4- Aluminum tetrahydride anion alh4-  
88 C- Carbon atom anion c-  
89 Si- Silicon atom anion si-  
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 atomic as  
139 As- Arsenic anion as-  
140 As+ Arsenic cation as+  
141 Sb Antimony atom sb  
142 NH Imidogen nh  
143 NH- Imidogen anion nh-  
144 NH+ imidogen cation nh+  
145 PH phosphorus monohydride ph  
146 PH- phosphorus monohydride anion ph-  
147 PH+ phosphorus monohydride cation ph+  
148 AsH Arsenic monohydride ash  
149 AsH+ Arsenic monohydride cation ash+  
150 SbH Antimony monohydride sbh  
151 ND2 Amidogen-d2 nd2  
152 NH2 Amino radical nh2  
153 NH2- amino anion nh2-  
154 NH2+ Amino cation nh2+  
155 PH2 Phosphino radical ph2  
156 PH2- Phosphino anion ph2-  
157 PH2+ Phosphino cation ph2+  
158 AsH2 Arsenic dihydride ash2  
159 AsH2+ Arsenic dihydride cation ash2+  
160 ND3 Ammonia-d3 nd3  
161 NH3- Ammonia anion nh3-  
162 NH3+ ammonia cation nh3+  
163 PH3 Phosphine ph3  
164 PH3+ Phosphine cation ph3+  
165 AsH3 Arsine ash3  
166 AsH3+ Arsine cation ash3+  
167 SbH3 Stibine sbh3  
168 AsH4+ Arsonium ash4+  
169 NH4 Ammonium radical nh4  
170 NH4+ ammonium cation nh4+  
171 PH4 Phosphoranyl radical ph4  
172 PH4+ phosphonium cation ph4+  
173 O- Oxygen atom anion o-  
174 S- Sulfur atom anion s-  
175 S+ Sulfur atom cation s+  
176 Cr Chromium atom cr  
177 Se Selenium atom se  
178 Se- Selenium atom anion se-  
179 Se+ Selenium atom cation se+  
180 Te Tellurium atom te  
181 Te+ Tellurium atom cation te+  
182 DO Hydroxyl-d od  
183 OH- hydroxide anion oh-  
184 OH+ hydoxyl cation oh+  
185 DS Mercapto-d ds  
186 HS Mercapto radical hs  
187 HS- mercapto anion sh-  
188 HS+ sulfur monohydride cation sh+  
189 CrH Chromium hydride crh  
190 CrH+ Chromium hydride cation crh+  
191 HSe Selenium monohydride hse  
192 HSe- selenium monohydride anion hse-  
193 HSe+ selenium monohydride cation hse+  
194 TeH Telluryl radical teh  
195 D2O Deuterium oxide d2o  
196 H2O- water anion h2o-  
197 H2O+ water cation h2o+  
198 HDO Water-d1 hdo  
199 D2S Hydrogen sulfide-d2 d2s  
200 H2S Hydrogen sulfide h2s  
201 H2S- Hydrogen sulfide anion h2s-  
202 H2S+ Hydrogen sulfide cation h2s+  
203 H2Se Hydrogen selenide h2se  
204 H2Se+ Hydrogen selenide cation h2se+  
205 H2Te Hydrogen Telluride h2te  
206 H3O+ hydronium cation h3o+  
207 H3S+ Sulfonium cation h3s+  
208 H3Se+ Hydrogen Selenide, protonated h3se+  
209 F- Fluorine atom anion f-  
210 Cl- Chlorine atom anion cl-  
211 Mn Manganese atom mn  
212 Br- Bromine atom anion br-  
213 Br+ Bromine atom cation br+  
214 I Iodine atom iodine  
215 I- Iodine atom anion iodine-  
216 I+ Iodine atom cation iodine+  
217 DF Hydrofluoric acid-d df  
218 HF- hydrogen fluoride anion hf-  
219 HF+ hydrogen fluoride cation hf+  
220 DCl Hydrochloric acid-d dcl  
221 HCl- hydrogen chloride anion hcl-  
222 HCl+ hydrogen chloride cation hcl+  
223 HBr hydrogen bromide hbr  
224 HBr- hydrogen bromide anion hbr-  
225 HBr+ hydrogen bromide cation hbr+  
226 HI Hydrogen iodide hi  
227 HI+ Hydrogen iodide cation hi+  
228 H2F+ dihydrogen fluoride cation h2f+  
229 H2Cl+ dihydrogen monochloride cation h2cl+  
230 H2Br+ protonated hydrogen bromide h2br+  
231 H2I+ Iodonium h2i+  
232 Ne- Neon atom anion ne-  
233 Ar- Argon atom anion ar-  
234 Ar+ Argon atom cation ar+  
235 Fe Iron atom fe  
236 Kr Krypton atom kr  
237 Kr+ Krypton cation kr+  
238 Xe Xenon atom xe  
239 HeLi+ Helium Lithium cation heli+  
240 NeH neon hydrogen neh  
241 NeH+ neon hydrogen cation neh+  
242 ArH+ Argon hydride cation arh+  
243 KrH+ Protonated Krypton krh+  
244 XeH+ Xenon, protonated xeh+  
245 H2Ar H2 Ar dimer h2ar  
246 Co Cobalt atom cobalt  
247 Ni Nickel atom ni  
248 Li2 Lithium diatomic li2  
249 Li2- lithium diatomic anion li2-  
250 Li2+ lithium diatomic cation li2+  
251 NaLi lithium sodium lina  
252 NaLi- lithium sodium anion lina-  
253 NaLi+ lithium sodium cation lina+  
254 LiK Lithium Potassium lik  
255 Na2- sodium diatomic anion na2-  
256 Na2+ sodium diatomic cation na2+  
257 NaK Sodium Potassium nak  
258 NaK+ Sodium Potassium diatomic cation nak+  
259 K2 Potassium diatomic k2  
260 Cu2 Copper diatomic cu2  
261 LiBe Lithium Beryllium libe  
262 LiMg Lithium magnesium limg  
263 NaBe Sodium Beryllium nabe  
264 NaMg Sodium Magnesium namg  
265 Be2 Beryllium diatomic be2  
266 Be2- Beryllium diatomic anion be2-  
267 Be2+ Beryllium diatomic cation be2+  
268 BeMg Beryllium Magnesium bemg  
269 Mg2 Magnesium diatomic mg2  
270 Mg2- magnesium diatomic anion mg2-  
271 Mg2+ magnesium diatomic cation mg2+  
272 Ca2 Calcium diatomic ca2  
273 LiB Lithium boride lib  
274 LiAl Lithium Aluminum lial  
275 NaAl Sodium aluminum naal  
276 BeB Beryllium monoboride beb  
277 B2 Boron diatomic b2  
278 B2- Boron diatomic anion b2-  
279 B2+ Boron diatomic cation b2+  
280 BAl Boron Aluminum bal  
281 Al2 Aluminum diatomic al2  
282 Al2- aluminum diatomic anion al2-  
283 Al2+ aluminum diatomic cation al2+  
284 BGa Boron Gallium bga  
285 AlGa Aluminum Gallium alga  
286 Ga2 Gallium diatomic ga2  
287 HBBH Diborane(2) hbbh  
288 LiBH4 Lithium borohydride libh4  
289 B2H4 Diborane(4) D2d b2h4  
290 HBHHBH Diborane(4) C2V hbhhbh  
291 B2H6 Diborane b2h6  
292 B2H6+ Diborane cation b2h6  
293 Al2H6 dialane al2h6  
294 Ga2H6 digallane ga2h6  
295 LiC Lithium Carbide lic  
296 BeC Beryllium Carbide bec  
297 CaC Calcium monocarbide cac  
298 BC boron monocarbide bc  
299 BC- boron monocarbide anion bc-  
300 BC+ boron monocarbide cation bc+  
301 AlC Aluminum carbide alc  
302 BSi Boron silicide bsi  
303 C2 Carbon diatomic c2  
304 C2- carbon diatomic anion c2-  
305 C2+ carbon diatomic cation c2+  
306 SiC silicon monocarbide sic  
307 SiC- silicon monocarbide anion sic-  
308 SiC+ silicon monocarbide cation sic+  
309 Si2 Silicon diatomic si2  
310 Si2- silcon diatomic anion si2-  
311 Si2+ silcon diatomic cation si2+  
312 GeC Germanium monocarbide gec  
313 SiGe Silicon Germanium sige  
314 Ge2 Germanium diatomic ge2  
315 C2H Ethynyl radical c2h  
316 C2H- Ethynyl anion c2h-  
317 C2H+ Ethynyl cation c2h+  
318 ZnCH2 Zinc methylene znch2  
319 C2H2+ acetylene cation c2h2+  
320 CCH2 vinylidene vinylidene  
321 H2CC- vinylidene anion h2cc-  
322 HCCH- acetylene anion c2h2-  
323 Si2H2 disilyne si2h2  
324 CH3Li methyl lithium ch3li  
325 CuCH3 monomethyl copper cuch3  
326 ZnCH3 Zinc monomethyl znch3  
327 CH2BH methyleneborane ch2bh  
328 C2H3 vinyl c2h3  
329 C2H3- vinyl anion c2h3-  
330 C2H3+ vinyl cation c2h3+  
331 C2H4- Ethylene anion c2h4-  
332 C2H4+ Ethylene cation c2h4+  
333 CH3CH methylmethylene ch3ch  
334 CH2SiH2 silaethylene ch2sih2  
335 Si2H4 Disilene si2h4  
336 CH3BH2 methylborane ch3bh2  
337 C2H5 Ethyl radical c2h5  
338 C2H5- Ethyl anion c2h5-  
339 C2H5+ Ethyl cation c2h5+  
340 C2H6+ ethane cation c2h6+  
341 CH3SiH3 methyl silane ch3sih3  
342 Si2H6 disilane si2h6  
343 GeH3CH3 methyl germane geh3ch3  
344 C2H7+ Ethane, protonated c2h7+  
345 LiN Lithium Nitride lin  
346 LiN+ Lithium Nitride cation lin+  
347 LiP Lithium monophosphide lip  
348 BeN Beryllium mononitride ben  
349 BeN- Beryllium mononitride anion ben-  
350 BeN+ Beryllium mononitride cation ben+  
351 MgN Magnesium Nitride mgn  
352 BN- boron nitride anion bn-  
353 AlN- aluminum mononitride anion aln-  
354 AlN+ aluminum mononitride cation aln+  
355 BP Boron monophosphide bp  
356 AlP Aluminum monophosphide alp  
357 GaN Gallium mononitride gan  
358 GaP Gallium monophosphide gap  
359 GaAs Gallium arsenide gaas  
360 BN+ boron nitride cation bn+  
361 CN Cyano radical cn  
362 CN- cyanide anion cn-  
363 CN+ Cyano cation cn+  
364 CP Carbon monophosphide cp  
365 CP- carbon monophosphide anion cp-  
366 CP+ carbon monophosphide cation cp+  
367 SiN Silicon nitride sin  
368 SiN- silicon mononitride anion sin-  
369 SiN+ silicon mononitride cation sin+  
370 SiP Silicon monophosphide sip  
371 SiP- Silicon monophosphide anion sip-  
372 SiP+ Silicon monophosphide cation sip+  
373 TiN Titanium mononitride tin  
374 N2- nitrogen diatomic anion n2-  
375 N2+ diatomic nitrogen cation n2+  
376 PN Phosphorus mononitride pn  
377 PN- phosphorus nitride anion pn-  
378 PN+ phosphorus nitride cation pn+  
379 P2 Phosphorus diatomic p2  
380 P2- phosphorus diatomic anion p2-  
381 P2+ phosphorus diatomic cation p2+  
382 AsN Arsenic mononitride asn  
383 AsP Arsenic monophosphide asp  
384 SbN Antimony nitride sbn  
385 As2 Arsenic diatomic as2  
386 HNB hydrogen nitrogen boron hnb  
387 HNC hydrogen isocyanide hnc  
388 HCN Hydrogen cyanide hcn  
389 HCN- Hydrogen cyanide anion hcn-  
390 HCN+ hydrogen cyanide cation hcn+  
391 HNC+ hydrogen isocyanide cation hnc+  
392 HCP Phosphaethyne hcp  
393 HCP+ Phosphaethyne cation hcp+  
394 NNH Dinitrogen monohydride nnh  
395 NNH+ Dinitrogen monohydride cation nnh+  
396 HPO Hydrogen phosphorus oxide hpo  
397 HPO+ Hydrogen phosphorus oxide cation hpo+  
398 LiNH2 lithium amide linh2  
399 HBNH Boranimine hbnh  
400 CNH2 Aminomethylidyne radical cnh2  
401 CNH2+ N-protonated hydrogen isocyanide cnh2+  
402 H2CN Dihydrogen cyanide radical h2cn  
403 H2CN+ hydrocyanonium cation h2cn+  
404 HCNH methyleneazane hcnh  
405 HCNH+ N-protonated HCN hcnh+  
406 H2NN Isodiazene h2nn  
407 N2H2 (Z)-Diazene n2h2z  
408 N2H2+ trans-diazene cation n2h2+  
409 CH2NH Methanimine ch3n  
410 CH2NH+ Methanimine cation ch2nh+  
411 CHNH2 aminomethylene chnh2  
412 CHNH2+ Aminocarbene cation chnh2+  
413 CH2PH Phosphaethene ch3p  
414 BH2NH2 Boranamine bh2nh2  
415 CH2NH2+ methyleneamine cation ch2nh2+  
416 N2H4 Hydrazine n2h4  
417 N2H4+ hydrazine cation n2h4+  
418 P2H4 Diphosphine p2h4  
419 CH3NH2 methyl amine ch3nh2  
420 CH3NH2+ methyl amine cation ch3nh2+  
421 CH3PH2 Methyl phosphine ch3ph2  
422 SiH3NH2 Silane, amino sih3nh2  
423 N2H5+ protonated hydrazine n2h5+  
424 BH3PH3 borane phosphine bh3ph3  
425 BH3NH3 borane ammonia bh3nh3  
426 CH3NH3 methyl ammonium radical ch3nh3  
427 CH3NH3+ protonated methylamine ch3nh3+  
428 CH3PH3+ methyl phosphine, protonated ch3ph3+  
429 NH3NH3 Ammonia Dimer nh3nh3  
430 N2H7+ ammonia ammonium dimer n2h7+  
431 LiO lithium oxide lio  
432 LiO- lithium oxide anion lio-  
433 LiO+ lithium oxide cation lio+  
434 LiS Lithium monosulfide lis  
435 LiS+ Lithium sulfide cation lis+  
436 NaO sodium monoxide nao  
437 NaO- sodium oxide anion nao-  
438 NaO+ sodium oxide cation nao+  
439 KO Potassium monoxide ko  
440 KO+ Potassium monoxide cation ko+  
441 NaS Sodium sulfide nas  
442 CuO Copper Monoxide cuo  
443 LiSe Lithium monoselenide lise  
444 BeO beryllium oxide beo  
445 BeO- Beryllium monoxide anion beo-  
446 BeO+ Beryllium monoxide cation beo+  
447 BeS beryllium sulfide bes  
448 MgO magnesium oxide mgo  
449 MgO- magnesium oxide anion mgo-  
450 MgO+ magnesium oxide cation mgo+  
451 MgS magnesium sulfide mgs  
452 MgS- magnesium sulfide anion mgs-  
453 MgS+ magnesium sulfide cation mgs+  
454 CaS Calcium sulfide cas  
455 ZnO zinc monoxide zno  
456 ZnS Zinc sulfide zns  
457 BeS- Beryllium monosulfide anion bes-  
458 BeS+ Beryllium monosulfide cation bes+  
459 BO boron monoxide bo  
460 AlO Aluminum monoxide alo  
461 AlO- Aluminum monoxide anion alo-  
462 AlO+ aluminum monoxide cation alo+  
463 BS boron sulfide bs  
464 BS- boron monosulfide anion bs-  
465 BS+ boron monosulfide cation bs+  
466 AlS Aluminum sulfide als  
467 AlS- aluminum monosulfide anion als-  
468 AlS+ aluminum monosulfide cation als+  
469 ScO Scandium monoxide sco  
470 GaO Gallium monoxide gao  
471 GaS Gallium monosulfide gas  
472 BO+ boron monoxide cation bo+  
473 CO- carbon monoxide anion co-  
474 CO+ carbon monoxide cation co+  
475 CS carbon monosulfide cs  
476 CS- carbon monosulfide anion cs-  
477 CS+ carbon monosulfide cation cs+  
478 SiO Silicon monoxide sio  
479 SiO- silicon monoxide anion sio-  
480 SiO+ silicon monoxide cation sio+  
481 SiS silicon monosulfide sis  
482 SiS- silicon monosulfide anion sis-  
483 SiS+ silicon monosulfide cation sis+  
484 TiO Titanium monoxide tio  
485 CSe Carbon monoselenide cse  
486 CSe- Carbon monoselenide anion cse-  
487 CSe+ Carbon monoselenide cation cse+  
488 GeO Germanium monoxide geo  
489 GeO+ Germanium monoxide cation geo+  
490 GeS Germanium monosulfide ges  
491 SiSe Silicon Monoselenide sise  
492 SiSe+ Silicon Monoselenide cation sise+  
493 GeSe Germanium monoselenide gese  
494 NO- nitric oxide anion no-  
495 NO+ nitric oxide cation no+  
496 NS Mononitrogen monosulfide ns  
497 NS- nitrogen sulfide anion ns-  
498 NS+ nitrogen sulfide cation ns+  
499 PO Phosphorus monoxide po  
500 PO- phosphorus monoxide anion po-  
501 PO+ phosphorus monoxide cation po+  
502 PS phosphorus sulfide ps  
503 PS- phosphorus monosulfide anion ps-  
504 PS+ phosphorus monosulfide cation ps+  
505 VO Vanadium monoxide vo  
506 AsO Arsenic monoxide aso  
507 NSe Nitrogen monoselenide nse  
508 AsS Arsenic monosulfide ass  
509 PSe Phosphorus monoselenide pse  
510 AsSe Arsenic monoselenide asse  
511 O2- oxygen diatomic anion o2-  
512 O2-- dioxygen dianion o2--  
513 O2+ diatomic oxygen cation o2+  
514 SO Sulfur monoxide so  
515 SO- sulfur monoxide anion so-  
516 SO+ sulfur monoxide cation so+  
517 S2 Sulfur diatomic s2  
518 S2- sulfur diatomic anion s2-  
519 S2+ sulfur diatomic cation s2+  
520 SeO Selenium monoxide seo  
521 SeO- selenium monoxide anion seo-  
522 SeO+ selenium monoxide cation seo+  
523 SeS Selenium monosulfide ses  
524 SeS- selenium monosulfide anion ses-  
525 SeS+ selenium monosulfide cation ses+  
526 TeO Tellurium monoxide teo  
527 Se2 Selenium diatomic se2  
528 Se2- selenium diatomic anion se2-  
529 Se2+ selenium diatomic cation se2+  
530 Te2 Tellurium diatomic te2  
531 LiOH lithium hydroxide lioh  
532 NaOH sodium hydroxide naoh  
533 KOH Potassium hydroxide koh  
534 BeOH beryllium monohydroxide beoh  
535 MgOH magnesium hydroxide mgoh  
536 HBO Boron hydride oxide hbo  
537 HBS hydrogen boron sulfide hbs  
538 COH Hydroxymethylidyne coh  
539 COH+ Carbon Monoxide, protonated coh+  
540 HCO Formyl radical hco  
541 HCO- formyl anion hco-  
542 HCO+ Formyl cation hco+  
543 HCS Thioformyl radical hcs  
544 HCS- Thioformyl anion hcs-  
545 HCS+ Thioformyl cation hcs+  
546 HNO Nitrosyl hydride hno  
547 HNO- Nitrosyl hydride anion hno-  
548 HNO+ Nitrosyl hydride cation hno+  
549 NOH Hydroxyimidogen noh  
550 NOH+ O-protonated nitric oxide noh+  
551 HNS Sulfur imide hns  
552 HNS- Sulfur imide anion hns-  
553 HO2 Hydroperoxy radical ho2  
554 HO2- Hydroperoxy anion ho2-  
555 HO2+ Hydroperoxy cation ho2+  
556 HSO+ Sulfur Monoxide, S-protonated HSO+  
557 SOH Sulfur Hydroxide soh  
558 SOH+ Sulfur Monoxide, protonated soh+  
559 HS2 Thiosulfeno radical hs2  
560 H2CO- formaldehyde anion h2co-  
561 H2CO+ formaldehyde cation h2co+  
562 HOCH hydroxycarbene hoch  
563 H2CS Thioformaldehyde h2cs  
564 H2CS- thioformaldehyde anion h2cs-  
565 H2CS+ thioformaldehyde cation h2cs+  
566 H2CSe Selenoformaldehyde h2cse  
567 H2NO nitroxide h2no  
568 H2O2 Hydrogen peroxide h2o2  
569 H2O2+ Hydrogen peroxide cation h2o2+  
570 H2OO water oxide h2oo  
571 HOSH hydrogen thioperoxide hosh  
572 H2S2 Disulfane h2s2  
573 H2S2+ hydrogen disulfide cation h2s2+  
574 H2Se2 hydrogen diselenide h2se2  
575 CH2OH Hydroxymethyl radical ch2oh  
576 CH2OH+ hydroxymethyl cation ch2oh+  
577 CH3O Methoxy radical ch3o  
578 CH3O- methoxy anion ch3o-  
579 CH3O+ Methoxy cation ch3o+  
580 CH3S thiomethoxy ch3s  
581 H2CSH+ Thioformaldehyde, protonated h2csh+  
582 NH2OH hydroxylamine nh2oh  
583 NH2OH+ Hydroxylamine cation nh2oh+  
584 NH3O Ammonia Oxide nh3o  
585 H2POH Phosphinous acid h2poh  
586 H3PO Phosphine oxide h3po  
587 NH2SH Thiohydroxylamine nh2sh  
588 NH3S sulfidoazane nh3s  
589 H3O2+ hydrogen peroxide, protonated h3o2+  
590 CH3OH Methyl alcohol ch3oh  
591 CH3OH- Methyl alcohol anion ch3oh-  
592 CH3OH+ Methyl alcohol cation ch3oh+  
593 CH3SH Methanethiol ch3sh  
594 CH3SH+ Methanethiol cation ch3sh+  
595 SiH3OH silanol sih3oh  
596 CH3SeH Methane selenol ch3seh  
597 NH2OH2+ protonated hydroxylamine nh2oh2+  
598 NH3OH+ N-protonated hydroxylamine nh3oh+  
599 H2OH2O water dimer h2oh2o  
600 CH3OH2+ Methanol, protonated ch3oh2+  
601 CH3SH2+ protonated methylsulfide ch3sh2+  
602 H2ONH3 Water Ammonia Dimer h2onh3  
603 H5O2+ Dihydroxonium ion h5o2+  
604 LiF lithium fluoride lif  
605 LiCl lithium chloride licl  
606 LiCl- lithium chloride anion licl-  
607 LiCl+ lithium chloride cation licl+  
608 NaF sodium fluoride naf  
609 NaF- sodium fluoride anion naf-  
610 NaF+ sodium fluoride cation naf+  
611 KF Potassium Fluoride kf  
612 NaCl Sodium Chloride nacl  
613 NaCl- sodium chloride anion nacl-  
614 NaCl+ sodium chloride cation nacl+  
615 KCl Potassium Chloride kcl  
616 CuF Copper monofluoride cuf  
617 LiBr- lithium bromide anion libr-  
618 LiBr+ lithium bromide cation libr+  
619 CuCl Copper monochloride cucl  
620 NaBr- sodium bromide anion nabr-  
621 NaBr+ sodium bromide cation nabr+  
622 KBr Potassium Bromide kbr  
623 LiI Lithium Iodide lii  
624 NaI Sodium Iodide nai  
625 KI Potassium Iodide ki  
626 LiF- lithium fluoride anion lif-  
627 LiF+ lithium fluoride cation lif+  
628 BeF Beryllium monofluoride bef  
629 BeF- Beryllium monofluoride anion bef-  
630 BeF+ Beryllium monofluoride cation bef+  
631 BeCl beryllium monochloride becl  
632 MgF Magnesium monofluoride mgf  
633 MgF- magnesium fluoride anion mgf-  
634 MgF+ magnesium fluoride cation mgf+  
635 MgCl magnesium monochloride mgcl  
636 MgCl- magnesium monochloride anion mgcl-  
637 MgCl+ magnesium monochloride cation mgcl+  
638 TiCl Titanium Monochloride ticl  
639 ZnF Zinc monofluoride znf  
640 ZnF- Zinc monofluoride anion znf-  
641 ZnF+ Zinc monofluoride cation znf+  
642 ZnCl Zinc monochloride zncl  
643 CaBr Calcium monobromide cabr  
644 BeCl- beryllium monochloride anion becl-  
645 BeCl+ beryllium monochloride cation becl+  
646 BF- Boron monofluoride anion bf-  
647 BF+ Boron monofluoride cation bf+  
648 AlF Aluminum monofluoride alf  
649 AlF- Aluminum monofluoride anion alf-  
650 AlF+ Aluminum monofluoride cation alf+  
651 BCl boron monochloride bcl  
652 BCl- boron monochloride anion bcl-  
653 BCl+ boron monochloride cation bcl+  
654 AlCl Aluminum monochloride alcl  
655 AlCl- aluminum monochloride anion alcl-  
656 AlCl+ aluminum monochloride cation alcl+  
657 ScF Scandium monofluoride scf  
658 BBr Boron monobromide bbr  
659 GaF Gallium monofluoride gaf  
660 GaF+ Gallium monofluoride cation gaf+  
661 AlBr Aluminum monobromide albr  
662 GaCl Gallium monochloride gacl  
663 GaCl+ Gallium monochloride cation gacl+  
664 AlI Aluminum monoiodide ali  
665 GaBr Gallium monobromide gabr  
666 CF Fluoromethylidyne cf  
667 CF+ carbon monofluoride cation cf+  
668 CCl carbon monochloride ccl  
669 CCl- carbon monochloride anion ccl-  
670 CCl+ carbon monochloride cation ccl+  
671 SiF silicon monofluoride sif  
672 SiF- silicon monofluoride anion sif-  
673 SiF+ silicon monofluoride cation sif+  
674 SiCl Clorosilylidyne sicl  
675 SiCl- silicon monochloride anion sicl-  
676 SiCl+ silicon monochloride cation sicl+  
677 CBr Carbon monobromide cbr  
678 GeF Germanium monofluoride gef  
679 GeF+ Germanium monofluoride cation gef+  
680 GeCl Germanium monochloride gecl  
681 GeCl+ Germanium monochloride cation gecl+  
682 SiBr Silicon monobromide sibr  
683 SiBr+ Silicon monobromide cation sibr+  
684 NF nitrogen fluoride nf  
685 NF- nitrogen monofluorine anion nf-  
686 NF+ nitrogen monofluoirde cation nf+  
687 NCl nitrogen monochloride ncl  
688 NCl- nitrogen monochloride anion ncl-  
689 NCl+ nitrogen monochloride cation ncl+  
690 PF phosphorus monofluoride pf  
691 PF- phosphorus monofluoride anion pf-  
692 PF+ phosphorus monofluoride cation pf+  
693 PCl phosphorus chloride pcl  
694 PCl- phosphorus monochloride anion pcl-  
695 PCl+ phosphorus monochloride cation pcl+  
696 AsF Arsenic monofluoride asf  
697 NBr nitrogen monobromide nbr  
698 AsCl Arsenic monochloride ascl  
699 PBr Phosphorus monobromide pbr  
700 SbF Antimony monofluoride sbf  
701 SbCl Antimony monochloride sbcl  
702 FO Oxygen monofluoride fo  
703 FO- flourine oxide anion fo-  
704 FO+ fluorine monoxide cation fo+  
705 ClO Monochlorine monoxide clo  
706 ClO- chlorine monoxide anion clo-  
707 ClO+ chlorine monoxide cation clo+  
708 SF Monosulfur monofluoride sf  
709 SF- sulfur monofluoride anion sf-  
710 SF+ sulfur monofluoride cation sf+  
711 SCl sulfur monochloride scl  
712 SCl- sulfur monochloride anion scl-  
713 SCl+ sulfur monochloride cation scl+  
714 BrO Bromine monoxide bro  
715 BrO- Bromine monoxide anion bro-  
716 BrO+ Bromine monoxide cation bro+  
717 SeF Selenium monofluoride sef  
718 SBr Sulfur monobromide radical sbr  
719 SBr+ Sulfur monobromide cation sbr+  
720 SeCl Selenium monochloride secl  
721 IO Iodine monoxide io  
722 SeBr Selenium monobromide sebr  
723 BrCl Bromine monochloride brcl  
724 F2- flourine diatomic anion f2-  
725 F2+ flourine diatomic cation f2+  
726 ClF Chlorine monofluoride clf  
727 ClF- clorine monofluoride anion clf-  
728 ClF+ clorine monofluoride cation clf+  
729 Cl2- chlorine diatomic anion cl2-  
730 Cl2+ chlorine diatomic cation cl2+  
731 BrF Bromine monofluoride brf  
732 BrF- bromine fluoride anion brf-  
733 BrF+ bromine fluoride cation brf+  
734 BrCl- bromine chloride anion brcl-  
735 BrCl+ bromine chloride cation brcl+  
736 IF Iodine monofluoride if  
737 Br2 Bromine diatomic br2  
738 Br2- bromine diatomic anion br2-  
739 Br2+ bromine diatomic cation br2+  
740 ICl Iodine monochloride icl  
741 IBr Iodine monobromide ibr  
742 I2 Iodine diatomic i2  
743 I2+ Iodine diatomic cation i2+  
744 HCF Fluoromethylene hcf  
745 HCCl Chloromethylene hccl  
746 HSiF fluorosilylene hsif  
747 HSiCl Chlorosilylene hsicl  
748 HSiBr monobromosilylene hsibr  
749 CHBr bromomethylene chbr  
750 HOF Hypofluorous acid hfo  
751 DOCl Hypochlorous acid-d docl  
752 HOCl hypochlorous acid hocl  
753 HOCl+ hypochlorous acid cation hocl+  
754 HOBr Hypobromous acid hobr  
755 HOBr+ Hypobromous acid cation hobr+  
756 HOI Hypoiodous acid hoi  
757 F2H+ Fluorine, protonated f2h+  
758 FHF Hydrogen difluoride fhf  
759 FHF- Hydrogen difluoride anion fhf-  
760 ClFH+ Chlorine fluoride, F-protonated clfh+  
761 FClH+ Chlorine fluoride, Cl-protonated fclh+  
762 Cl2H+ Chlorine, protonated cl2h+  
763 CH2Br bromomethyl radical ch2br  
764 CH2F fluoromethyl radical ch2f  
765 CH2F+ fluoromethyl cation ch2f+  
766 CH2Cl+ chloromethyl cation ch2cl+  
767 CH2Cl chloromethyl radical ch2cl  
768 NH2F monofluoroamine nh2f  
769 NH2Cl chloramine nh2cl  
770 H2F2 Hydrogen fluoride dimer h2f2  
771 CH3F+ methyl fluoride cation ch3f+  
772 CD3F methylfluoride-d3 cd3f  
773 CH3F Methyl fluoride ch3f  
774 CD3Cl methyl chloride d3 cd3cl  
775 CH3Cl Methyl chloride ch3cl  
776 CH3Cl+ Methyl chloride cation ch3cl+  
777 SiH3F monofluorosilane sih3f  
778 SiH3Cl chlorosilane sih3cl  
779 CH3Br methyl bromide ch3br  
780 GeH3F monofluorogermane geh3f  
781 GeH3Cl monochlorogermane geh3cl  
782 SiH3Br bromosilane sih3br  
783 CH3I methyl iodide ch3i  
784 SiH3I Silyl Iodide sih3i  
785 NH3Cl+ protonated monochloroammonia nh3cl+  
786 CH3ClH+ methyl chloride, protonated ch3clh+  
787 NH4Cl Ammonium chloride nh4cl  
788 LiNe+ Lithium Neon cation line+  
789 Ne2 Neon diatomic ne2  
790 Ne2+ Neon diatomic cation ne2+  
791 Ar2 Argon diatomic ar2  
792 Ar2+ Argon diatomic cation ar2+  
793 Li3 Lithium trimer li3  
794 Li3+ Lithium trimer cation li3+  
795 C3 carbon trimer c3  
796 C3+ carbon trimer cation c3+  
797 SiC2 Silicon dicarbide sic2  
798 C3H3 cyclopropenyl radical cpr  
799 C3H3 Propargyl radical propargyl  
800 C3H3- Propargyl anion c3h3-  
801 C3H3+ cyclopropenyl cation cpr+  
802 C3H3+ Propargyl cation c3h3+  
803 C3H4 cyclopropene cprop  
804 CH2CCH2 allene allene  
805 CH3CCH propyne propyne  
806 C3H5+ Allyl cation allyl+  
807 CH3CHCH 1-propenyl radical ch3chch  
808 Zn(CH3)2 dimethyl zinc dmz  
809 C3H7 n-Propyl radical npropyl  
810 C3H7+ cyclopropane, protonated c3h7+  
811 CH3CHCH3 Isopropyl radical isopropyl  
812 CH3CHCH3+ Isopropyl cation prop2yl+  
813 C3H8 Propane propane  
814 SiH2(CH3)2 dimethylsilane dms  
815 Si3H8 trisilane si3h8  
816 LiCN lithium cyanide licn  
817 NaCN Sodium Cyanide nacn  
818 KCN Potassium cyanide kcn  
819 CuCN Copper cyanide cucn  
820 ZnCN Zinc monocyanide zncn  
821 ZnNC Zinc isocyanide znnc  
822 AlCN Aluminum monocyanide alcn  
823 AlNC Aluminum isocyanide alnc  
824 CN2 3H-Diazirin-3-ylidene cn2  
825 CNN Diazocarbene cnn  
826 NCN Cyanoimidogen ncn  
827 N3 azide radical n3  
828 N3- azide anion n3-  
829 N3+ azide cation n3+  
830 HCCN cyanomethylene hccn  
831 HCNN diazomethyl radical hcnn  
832 HN3+ Hydrazoic acid cation hn3+  
833 HNCNH diiminomethane hncnh  
834 CH2N2 diazirine ch2n2  
835 HNNNH+ 1,2-Triazadienium n2h3+  
836 NH2NN+ hydrazoic acid, protonated nh2nn+  
837 CH3CN Acetonitrile ch3cn  
838 CH3CN- acetonitrile anion ch3cn-  
839 CH3CN+ Acetonitrile cation ch3cn+  
840 CH3NC methyl isocyanide ch3nc  
841 CHNCH2 2H-Azirine c157164  
842 CHNHCH 1H-Azirine chnhch  
843 H2CCNH Ethenimine ch2cnh  
844 H2CNCH methyleneaminomethylene ch2nch  
845 HCCNH2 Ethynamine hccnh2  
846 HCNCH2+ 2H-Azirine cation hcnch2+  
847 HNCNH2+ diiminomethane, protonated hncnh2+  
848 NCNH3+ Cyanamide, protonated ncnh3+  
849 NH2CNH+ cyanamide, cn protonated nh2cnh+  
850 NH3CN+ cyanamide, amine protonated nh3cn+  
851 CH2CHNH vinylazine ch2chnh  
852 CH3CHN methylmethaniminyl radical ch3chn  
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 CH2CO Ketene ch2co  
944 CH2CO+ Ketene cation ch2co+  
945 HCCOH ethynol hccoh  
946 CH2CS Thioketene ch2cs  
947 Be(OH)2 Beryllium hydroxide beo2h2  
948 Mg(OH)2 Magnesium dihydroxide h2mgo2  
949 NH2NO Nitrosamide nh2no  
950 CH2O2 Dioxirane diox  
951 H2COO Dioxymethyl radical h2coo  
952 H2COO+ dioxymethyl cation h2coo+  
953 HCOOH Formic acid ch2o2  
954 H2O3 Hydrogen trioxide h2o3  
955 HSSSH trisulfane hsssh  
956 NaOCH3 Sodium methoxide naoch3  
957 CH2BOH hydroxy(methylene)borane ch2boh  
958 BH3CO Borane carbonyl bh3co  
959 CH3BO Borane, methyloxo- ch3bo  
960 CH2CHO Vinyloxy radical ch2cho  
961 CH2COH+ ketene, protonated ch2coh+  
962 CH3CO Acetyl radical ch3co  
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 ClCN chlorocyanogen clcn  
1012 BrCN Cyanogen bromide brcn  
1013 ICN Cyanogen iodide icn  
1014 FBO Boron monofluoride monoxide fbo  
1015 BeF2 Beryllium fluoride bef2  
1016 MgF2 Magnesium fluoride mgf2  
1017 BeCl2 Beryllium chloride becl2  
1018 MgCl2 Magnesium dichloride mgcl2  
1019 CaCl2 Calcium Chloride cacl2  
1020 ZnCl2 Zinc dichloride zncl2  
1021 BeBr2 Beryllium bromide bebr2  
1022 CaBr2 Calcium dibromide cabr2  
1023 FCO Carbonyl fluoride fco  
1024 FCO+ Carbonyl fluoride cation fco+  
1025 ClCO carbonyl monochloride clco  
1026 BF2 Boron difluoride radical bf2  
1027 FNO Nitrosyl fluoride fno  
1028 ClNO Nitrosyl chloride clno  
1029 FNS Thionitrosyl fluoride fns  
1030 FSN Thiazyl fluoride fsn  
1031 OPCl Phosphorus oxychloride opcl  
1032 BrNO Nitrosyl bromide brno  
1033 INO Nitrosyl iodide ino  
1034 CF2 Difluoromethylene cf2  
1035 CF2- Difluoromethylene anion cf2-  
1036 CF2+ Difluoromethylene cation cf2+  
1037 CFCl chlorofluoromethylene cfcl  
1038 SiF2 Silicon difluoride sif2  
1039 SiF2+ Silicon difluoride cation sif2+  
1040 CCl2 dichloromethylene ccl2  
1041 CCl2- dichloromethylene anion ccl2-  
1042 CCl2+ dichloromethylene cation ccl2+  
1043 SiCl2 Dichlorosilylene sicl2  
1044 GeF2 Germanium difluoride gef2  
1045 GeCl2 Germanium dichloride gecl2  
1046 CBr2 dibromomethylene cbr2  
1047 FOO Dioxygen monofluoride radical foo  
1048 FOO+ Fluorine dioxide cation foo+  
1049 ClOO chloroperoxy radical cloo  
1050 ClOO+ chloroperoxy cation cloo+  
1051 OClO Chlorine dioxide oclo  
1052 OClO- Chlorine dioxide anion oclo-  
1053 OClO+ Chlorine dioxide cation oclo+  
1054 ClSO Sulfur chloride oxide clso  
1055 ClS2 Sulfur chloride cls2  
1056 BrOO Bromine dioxide broo  
1057 OBrO Bromine dioxide radical obro  
1058 NF2 Difluoroamino radical nf2  
1059 NF2+ Difluoroamino cation nf2+  
1060 PF2 Phosphorus difluoride pf2  
1061 PF2+ Phosphorus difluoride cation pf2+  
1062 FClO chlorosyl fluoride fclo  
1063 F2O Difluorine monoxide f2o  
1064 ClOF Chlorine hypofluorite clof  
1065 SF2 sulfur difluoride sf2  
1066 SF2- sulfur difluoride anion sf2-  
1067 SF2+ sulfur difluoride cation sf2+  
1068 Cl2O Dichlorine monoxide cl2o  
1069 SCl2 Sulfur dichloride scl2  
1070 SeF2 Selenium difluoride sef2  
1071 BrOCl Bromine hypochlorite brocl  
1072 SeCl2 Selenium Dichloride secl2  
1073 SBr2 Sulfur dibromide sbr2  
1074 SeBr2 Selenium dibromide sebr2  
1075 BrOBr Bromine oxide brobr  
1076 F3- trifluoride anion f3-  
1077 Cl3- trichloride anion cl3-  
1078 Br3- tribromide anion br3-  
1079 I3- triiodide i3-  
1080 SFCl Sulfur chloride fluoride sfcl  
1081 HCCF+ fluoroacetylene cation hccf+  
1082 HCCCl Chloroacetylene hcccl  
1083 HCCBr bromoacetylene hccbr  
1084 HFCO formyl fluoride hfco  
1085 HFCO+ formyl fluoride cation hfco+  
1086 COHCl Formyl chloride cohcl  
1087 COHBr Formyl bromide cohbr  
1088 BHF2 Difluoroborane bhf2  
1089 BHCl2 Borane, dichloro- bhcl2  
1090 CHCl2 dichloromethyl radical chcl2  
1091 CHF2 difluoromethyl radical chf2  
1092 CHF2+ difluoromethyl cation chf2+  
1093 CHFCl Chlorofluoromethyl radical chfcl  
1094 CHFCl+ Chlorofluoromethyl cation chfcl+  
1095 CHCl2+ dichloromethyl cation chcl2+  
1096 CHBr2 dibromomethyl radical chbr2  
1097 HOClO Chlorous acid hoclo  
1098 NHF2 difluoramine nhf2  
1099 NHCl2 dichloroamine nhcl2  
1100 CH2F2 Methane, difluoro- ch2f2  
1101 CH2FCl fluorochloromethane ch2fcl  
1102 SiH2F2 difluorosilane sih2f2  
1103 CH2Cl2 Methylene chloride ch2cl2  
1104 CH2BrF Methane, bromofluoro- ch2fbr  
1105 CH2BrCl Methane, bromochloro- ch2clbr  
1106 CH2FI fluoroiodomethane ch2fi  
1107 CH2Br2 dibromomethane ch2br2  
1108 CH2ClI chloroiodomethane ch2cli  
1109 CH2BrI bromoiodomethane ch2bri  
1110 CH2I2 Diiodomethane ch2i2  
1111 SiH2Cl2 dichlorosilane sih2cl2  
1112 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1113 CH2CHF Ethene, fluoro- ch2chf  
1114 CH2CHF+ fluoroethene cation ch2chf+  
1115 C2H3Cl Ethene, chloro- ch2chcl  
1116 C2H3Br vinyl bromide c2h3br  
1117 C2H3I Vinyl iodide c2h3i  
1118 CH2FOH fluoromethanol ch2foh  
1119 CH3OCl methyl hypochlorite ch3ocl  
1120 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1121 CHClCH3 1-chloroethyl radical chclch3  
1122 CH3CH2Cl Ethyl chloride c2h5cl  
1123 CH3SiFH2 fluoromethylsilane ch3sifh2  
1124 C2H5Br Ethyl bromide etbr  
1125 C2H5I Ethyl iodide c2h5i  
1126 KrF2 Krypton difluoride krf2  
1127 XeF2 Xenon difluoride xef2  
1128 B4H10 Tetraborane(10) b4h10  
1129 C4+ Carbon tetramer cation c4+  
1130 C4H2 Diacetylene c4h2  
1131 C4H2+ diacetlyene cation c4h2+  
1132 C2H3CCH 1-Buten-3-yne c2h3cch  
1133 C4H4 cyclobutadiene cbd  
1134 C4H4 Tetrahedrane c4h4  
1135 H2CCCCH2 Butatriene h2cccch2  
1136 C4H6 1-Methylcyclopropene c3100047  
1137 C4H6 Cyclobutene c822355  
1138 C4H6 Methylenecyclopropane c6142730  
1139 CH2CCHCH3 1,2-Butadiene butad12  
1140 CH2CHCHCH2 1,3-Butadiene c106990  
1141 CH3CCCH3 2-Butyne c503173  
1142 CHCCH2CH3 1-Butyne c107006  
1143 CH3CHCHCH2 methylallyl radical c4h7  
1144 C4H8 methylcyclopropane mcp  
1145 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1146 CH2CHCH2CH3 1-Butene bute1  
1147 CH3CHCHCH3 2-Butene, (E)- bute2e  
1148 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1149 B(CH3)3 trimethylborane bme3  
1150 Al(CH3)3 trimethyl aluminum tma  
1151 C(CH3)3 Tert-butyl radical tbutyl  
1152 CH2CH(CH3)2 Isobutyl radical isobutyl  
1153 CH3CHCH2CH3 2-Butyl radical butyl2  
1154 CH3CH(CH3)CH3 Isobutane isobutane  
1155 CH3CH2CH2CH3 Butane butane  
1156 SiH(CH3)3 trimethylsilane trimsi  
1157 Li3N trilithium nitride li3n  
1158 C2N2 Cyanogen c2n2  
1159 C2N2+ Cyanogen cation c2n2+  
1160 P4 Phosphorus tetramer p4  
1161 As4 Arsenic tetramer as4  
1162 HCCCN Cyanoacetylene hcccn  
1163 HCCCN+ Cyanoacetylene cation hcccn+  
1164 H2CNCN cyanamide, methylene ch2ncn  
1165 HNCCNH Ethenediimine hnccnh  
1166 C3H3N acrylonitrile ch2chcn  
1167 C3H3N+ acrylonitrile cation ch2chcn+  
1168 CH3N3 methyl azide ch3n3  
1169 NH2CCNH2 Diaminoacetylene daa  
1170 NH2CH2CN Aminoacetonitrile aan  
1171 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1172 C2H5CN ethyl cyanide c2h5cn  
1173 CH5N3 Guanidine guanidine  
1174 C4H6 Bicyclo[1.1.0]butane c157335  
1175 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1176 H2NCHCHNH2 diaminoethylene dae  
1177 CH6N3+ guanidinium ch6n3+  
1178 C3H7N Cyclopropylamine cpram  
1179 CH7N3 triaminomethane tam  
1180 C3H7N Azetidine azet  
1181 C4H8 cyclobutane cbutane  
1182 C2H8N2 Ethylenediamine ethdiam  
1183 CH3NHNHCH3 dimethyl hydrazine dmh  
1184 CH3CH(NH2)CH3 2-Propanamine pram2  
1185 N(CH3)3 Trimethylamine trimeam  
1186 NH2CH2CH2CH3 1-Propanamine pram1  
1187 P(CH3)3 trimethylphosphine tmp  
1188 N(SiH3)3 trisilylamine tsa  
1189 As(CH3)3 trimethyl arsine tmas  
1190 (CH3)3NH+ protonated trimethyl amine ptma  
1191 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1192 Li2O2 dilithium dioxide li2o2  
1193 Na2O2 disodium dioxide na2o2  
1194 K2O2 dipotassium dioxide k2o2  
1195 C3O Tricarbon monoxide c3o  
1196 B2O2 Diboron dioxide b2o2  
1197 ONNO NO dimer onno  
1198 S2N2 Disulfur dinitride s2n2  
1199 CO3 Carbon trioxide co3  
1200 CO3-- carbonate co3--  
1201 CS3-- Carbonotrithioate cs3--  
1202 NO3 Nitrogen trioxide no3  
1203 NO3- nitrate anion no3-  
1204 NO3+ nitrogen trioxide cation no3+  
1205 SO3 Sulfur trioxide so3  
1206 SO3- Sulfur trioxide anion so3-  
1207 SO3-- Sulfate dianion so3--  
1208 SO3+ Sulfur trioxide cation so3+  
1209 SeO3 selenium trioxide seo3  
1210 S4 Sulfur tetramer s4  
1211 TeO3 Tellurium trioxide teo3  
1212 HCO3- bicarbonate anion hco3-  
1213 HNO3 Nitric acid hno3  
1214 HSO3 Hydroxysulfonyl radical hso3  
1215 NH2NO2 nitramide nh2no2  
1216 C2H2CO cyclopropenone c2h2co  
1217 C3H2O Propadienal c3h2o  
1218 HCCCHO 2-propynal hcccho  
1219 C2H2O2 Ethanedial c2h2o2  
1220 C2H2O2+ Ethanedial cation c2h2o2+  
1221 H2CO3 Carbonic acid h2co3  
1222 H2CS3 thiocarbonic acid h2cs3  
1223 H2NO3+ Nitric Acid, Protonated h2no3+  
1224 H2SO3 Sulfurous acid h2so3  
1225 C2H3NO Nitrosoethylene c2h3no  
1226 CH3NCO methylisocyante ch3nco  
1227 HOCH2CN cyanomethanol hoch2cn  
1228 CH3COO- acetate anion ch3coo-  
1229 CH3NO2 Methane, nitro- ch3no2  
1230 CH3ONO Methyl nitrite ch3ono  
1231 NH2COOH Carbamic acid nh2cooh  
1232 H3BO3 Boric acid h3bo3  
1233 H3AlO3 Aluminum hydroxide h3alo3  
1234 H3CO3+ carbonic acid, protonated h3co3+  
1235 C3H4O 2-Propyn-1-ol c107197  
1236 C3H4O allenol c9000071  
1237 C3H4O Cyclopropanone cpone  
1238 C3H4O Methylketene c6004440  
1239 NH2CONH2 Urea urea  
1240 NH2CONH2+ Urea cation urea+  
1241 NH2CSNH2 Thiourea thiourea  
1242 C2H4O2 1,3-dioxetane c2h4o2  
1243 CH3COOH Acetic acid ch3cooh  
1244 CH3OCHO methyl formate ch3ocho  
1245 CHOCH2OH hydroxy acetaldehyde haa  
1246 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1247 NH3COOH+ protonated Carbamic acid nh3cooh+  
1248 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1249 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1250 HCOOHH2O Formic acid water dimer hcoohh2o  
1251 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1252 CH3COCH2 Acetonyl radical ch3coch2  
1253 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1254 CH3C(OH)=NH Ethaninidic acid eia  
1255 CH3CHNOH Acetaldoxime acetaldoxime  
1256 CH3CONH2 Acetamide acetamide  
1257 HCONHCH3 N-methylformamide nmfa  
1258 CH3CSNH2 Ethanethioamide ch3csnh2  
1259 CH5N2O+ urea, N-protonated ch4n2o+  
1260 H2NCOHNH2+ urea, protonated ureah+  
1261 C2H5OO ethylperoxy radical c2h5oo  
1262 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1263 C3H5OH Cyclopropanol cproh  
1264 C3H6O 2-Propen-1-ol c107186  
1265 C3H6O Acetone enol enol  
1266 C3H6O Oxetane oxetane  
1267 C3H6O Propylene oxide prox  
1268 CH3CH2CHO Propanal propanal  
1269 CH3COCH3 Acetone acetone  
1270 CH3COCH3- acetone anion ch3coch3-  
1271 C3H6S Thietane thietane  
1272 C3H6S Thiirane, methyl- methiirane  
1273 CH3CSCH3 Thioacetone ch3csch3  
1274 C2H6O2 1,2-Ethanediol ethdiol  
1275 CH3OOCH3 dimethylperoxide dmp  
1276 CH3SOCH3 Dimethyl sulfoxide dmso  
1277 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1278 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1279 CH3COHCH3+ acetone, protonated acetoneh+  
1280 HOCH2CH2NH2 monoethanolamine mea  
1281 C3H7OH 1-Propanol proh  
1282 CH3CHOHCH3 Isopropyl alcohol isoproh  
1283 CH3OC2H5 Ethane, methoxy- etome  
1284 C3H7SH 1-Propanethiol prsh  
1285 CH3CHSHCH3 2-Propanethiol isoprsh  
1286 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1287 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1288 Li2F2 Lithium fluoride dimer li2f2  
1289 Na2F2 Sodium Fluoride Dimer na2f2  
1290 Na2Cl2 Disodium dichloride na2cl2  
1291 C2Cl2 dichloroacetylene c2cl2  
1292 C2Cl2+ dichloroacetylene cation c2cl2+  
1293 FNO2 Nitryl fluoride fno2  
1294 FONO Nitrosyl hypofluorite fono  
1295 ClNO2 Nitryl chloride clno2  
1296 ClONO chlorine nitrite clono  
1297 BrONO Bromine nitrite brono  
1298 N2F2 (Z)-Difluorodiazene n2f2_z  
1299 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1300 CF2O Carbonic difluoride f2co  
1301 CF2O+ Carbonic difluoride cation f2co+  
1302 COFCl Carbonic chloride fluoride cofcl  
1303 CCl2O Phosgene cl2co  
1304 Cl2CS Thiophosgene cl2cs  
1305 COBr2 Carbonic dibromide cobr2  
1306 BF3- Borane, trifluoro- anion bf3-  
1307 BF3+ boron trifluoride cation bf3+  
1308 BClF2 Chlorodifluoroborane bclf2  
1309 AlF2Cl Aluminum chloride difluoride alclf2  
1310 ScF3 Scandium trifluoride ScF3  
1311 AlFCl2 Aluminum dichloride fluoride alcl2f  
1312 BCl3 Borane, trichloro- bcl3  
1313 BCl3+ Boron Trichloride cation bcl3+  
1314 GaF3 Gallium trifluoride gaf3  
1315 AlCl3 Aluminum trichloride alcl3  
1316 GaCl3 Gallium trichloride gacl3  
1317 BBr3 Boron tribromide bbr3  
1318 AlBr3 Aluminum Bromide albr3  
1319 ClO3 Chlorine trioxide clo3  
1320 ClO3- chlorate anion clo3-  
1321 BrO3- Bromate anion bro3-  
1322 CF3 Trifluoromethyl radical cf3  
1323 CF3- Trifluoromethyl anion cf3-  
1324 CF3+ Trifluoromethyl cation cf3+  
1325 CF2Cl difluorochloromethyl radical cf2cl  
1326 SiF3 Silicon trifluoride radical sif3  
1327 SiF3+ Silicon trifluoride cation sif3+  
1328 CFCl2 dichlorofluoromethyl radical cfcl2  
1329 CCl3 Trichloromethyl radical ccl3  
1330 CCl3- Trichloromethyl anion ccl3-  
1331 CCl3+ Trichloromethyl cation ccl3+  
1332 SiCl3 trichlorosilyl radical sicl3  
1333 SiCl3+ trichlorosilyl cation sicl3+  
1334 CBr3 tribromomethyl radical cbr3  
1335 FOOF Perfluoroperoxide foof  
1336 ClO2F Chloryl fluoride clo2f  
1337 F2SO Thionyl Fluoride f2so  
1338 ClOOCl Dichlorine dioxide cloocl  
1339 FSSF Difluorodisulfane fssf  
1340 S2F2 Thio-thionyl fluoride s2f2  
1341 SOCl2 thionyl chloride socl2  
1342 SSCl2 Thiothionyl chloride sscl2  
1343 SeOCl2 selenium oxychloride seocl2  
1344 NF3 Nitrogen trifluoride nf3  
1345 NF3- Nitrogen trifluoride anion nf3-  
1346 NF3+ Nitrogen trifluoride cation nf3+  
1347 PF3 Phosphorus trifluoride pf3  
1348 NCl3 nitrogen trichloride ncl3  
1349 AsF3 Arsenic trifluoride asf3  
1350 PCl3 Phosphorus trichloride pcl3  
1351 SbF3 Antimony Trifluoride sbf3  
1352 AsCl3 Arsenous trichloride ascl3  
1353 SbCl3 Antimony Trichloride sbcl3  
1354 NBr3 Nitrogen Tribromide nbr3  
1355 PBr3 Phosphorus tribromide pbr3  
1356 AsBr3 Arsenic tribromide asbr3  
1357 NI3 Nitrogen triiodide ni3  
1358 PI3 Phosphorus triiodide pi3  
1359 ClSSCl Disulfur dichloride s2cl2  
1360 SF3 Sulfur trifluoride sf3  
1361 ClF3 Chlorine trifluoride clf3  
1362 BrF3 Bromine trifluoride brf3  
1363 IF3 iodone trifluoride if3  
1364 HClO3 Chloric Acid hclo3  
1365 CHF3 Methane, trifluoro- chf3  
1366 CHF2Cl difluorochloromethane chf2cl  
1367 SiHF3 trifluorosilane sihf3  
1368 CHFCl2 fluorodichloromethane chfcl2  
1369 CDCl3 trichloromethane-d cdcl3  
1370 CHCl3 Chloroform chcl3  
1371 CHBrF2 Methane, bromodifluoro- chbrf2  
1372 SiHCl3 Trichlorosilane sihcl3  
1373 CHFClBr fluorochlorobromomethane chfclbr  
1374 CHBrCl2 Methane, bromodichloro- chbrcl2  
1375 CHF2I difluoroiodomethane chf2i  
1376 CHBr2F dibromofluoromethane chbr2f  
1377 CHFClI fluorochloroiodomethane chfcli  
1378 CHCl2I dichloroiodomethane chcl2i  
1379 CHClBr2 Methane, dibromochloro- chclbr2  
1380 CHBr3 bromoform chbr3  
1381 CHI3 Iodoform chi3  
1382 NF3H+ protonated nitrogen trifluoride nf3h+  
1383 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1384 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1385 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1386 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1387 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1388 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1389 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1390 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1391 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1392 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1393 C2H2Br2 1,1-dibromoethene c2h2br2  
1394 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1395 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1396 CH2FCHO Fluoroacetaldehyde ch2fcho  
1397 CH3COF Acetyl fluoride ch3cof  
1398 CH2ClCHO chloroacetaldehyde ch2clcho  
1399 CH3COCl Acetyl Chloride ch3cocl  
1400 C2H4F2 1,2-difluoroethane c2h4f2  
1401 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1402 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1403 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1404 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1405 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1406 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1407 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1408 CH2CFCH3 2-fluoropropene 2fpro  
1409 CH2CHCH2F Allyl Fluoride allylf  
1410 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1411 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1412 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1413 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1414 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1415 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1416 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1417 CH2FCH2CH3 1-Fluoropropane prf1  
1418 CH3CHFCH3 2-Fluoropropane prf2  
1419 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1420 CH3CHClCH3 Propane, 2-chloro- prcl2  
1421 CH3CH2CH2Br n-propyl bromide prbr  
1422 CH3CHBrCH3 i-propyl bromide iprbr  
1423 C3H9O+ trimethyl oxonium cation c3h9o+  
1424 B5H9 pentaborane9 b5h9  
1425 C5H4 pentatetraene ptrene  
1426 C5H5 cyclopentadienyl radical c5h5  
1427 C5H5- cylopentadienyl anion c5h5-  
1428 C5H6 1,3-Cyclopentadiene c542927  
1429 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1430 C5H6 3-Penten-1-yne, (E)- c2004695  
1431 C5H6 3-Penten-1-yne, (Z)- c1574409  
1432 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1433 C5H6 Cyclopropylacetylene c6746947  
1434 C5H6 Propellane propellane  
1435 C5H7 1,3-pentadienyl radical pdyl  
1436 C5H7 cyclopentenyl radical cpyl  
1437 C5H8 1,2-Butadiene, 3-methyl- c598254  
1438 C5H8 1,2-Pentadiene c591957  
1439 C5H8 1,3-Butadiene, 2-methyl- c78795  
1440 C5H8 1,3-Pentadiene, (E)- c2004708  
1441 C5H8 1,3-Pentadiene, (Z)- c1574410  
1442 C5H8 1,4-Pentadiene c591935  
1443 C5H8 1-pentyne a1pentyne  
1444 C5H8 2,3-Pentadiene c591968  
1445 C5H8 Bicyclo[1.1.1]pentane bcp  
1446 C5H8 Cyclobutane, methylene- c1120565  
1447 C5H8 Cyclopentene c142290  
1448 C5H8 Ethenylcyclopropane c693867  
1449 CH3CCCH2CH3 2-Pentyne 2pentyne  
1450 C5H10 1-Butene, 2-methyl- c563462  
1451 C5H10 2-Butene, 2-methyl- c513359  
1452 C5H10 2-Pentene, (E)- c646048  
1453 C5H10 2-Pentene, (Z)- c627203  
1454 C5H10 Cyclopentane c287923  
1455 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1456 CH2CHCH2CH2CH3 1-pentene pentene  
1457 C5H11 2-Methylbut-2-yl radical c4348350  
1458 C5H12 Butane, 2-methyl- buta2  
1459 C5H12 Pentane pentane  
1460 C5H12 Propane, 2,2-dimethyl- neopentane  
1461 Si(CH3)4 tetramethylsilane tms  
1462 C3H2N2 Malononitrile c3h2n2  
1463 CH2N4 1H-Tetrazole 1htz  
1464 C3H3N2 imidazolyl radical im  
1465 C3H3N2- imidizolyl anion im-  
1466 C2H3N3 1H-1,2,4-Triazole c288880  
1467 C4H4N pyrrolide radical c4h4n  
1468 C4H4N- pyrrolide anion c4h4n-  
1469 C3H4N2 1H-Imidazole 1himidaz  
1470 C3H4N2 1H-Pyrazole 1hpyraz  
1471 C3H4N2 2H-Imidazole imid2h  
1472 C3H4N2 4H-Imidazole imid4h  
1473 C4H5N (E)-2-Butenenitrile c627269  
1474 C4H5N (Z)-2-Butenenitrile c1190767  
1475 C4H5N 2H-pyrrole pyrrole2  
1476 C4H5N 3H-pyrrole pyrrole3  
1477 C4H5N Cyclopropanecarbonitrile c5500210  
1478 C4H5N Pyrrole pyrrole  
1479 CH2CHCH2CN Allylcyanide ch2chch2cn  
1480 C4H6N+ pyrrole, alpha-protonated appyr  
1481 C4H6N+ pyrrole, beta-protonated bppyr  
1482 C4H6N+ pyrrole, protonated ppyr  
1483 C3H6N2 3-Aminopropionitrile c151188  
1484 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1485 CH3CH2CH2CN Butanenitrile c109740  
1486 C5H8 Bicyclo[2.1.0]pentane c185944  
1487 C5H8 Spiropentane c157404  
1488 C4H9N Cyclobutylamine cbam  
1489 C4H9N Pyrrolidine pyrrolidine  
1490 C3H10N2 1,2-Diaminopropane diampr12  
1491 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1492 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1493 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1494 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1495 NH(C2H5)2 diethylamine dea  
1496 NC4H12+ tetramethyl ammonium cation nc4h12+  
1497 C3O2 Carbon suboxide c3o2  
1498 C3O2+ Carbon suboxide cation c3o2+  
1499 B2O3 diboron trioxide b2o3  
1500 MgCO3 Magnesium Carbonate mgco3  
1501 BeCO3 Beryllium Carbonate beco3  
1502 ONONO Nitrosyl nitrite onono  
1503 PO4--- phosphate po4---  
1504 SO4-- sulfate so4--  
1505 HOONO2 peroxy nitric acid hoono2  
1506 HSO4- bisulfate anion hso4-  
1507 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1508 C3H2O2 Propiolic acid c3h2o2  
1509 CHOCOOH oxo acetic acid oaa  
1510 CHOOCHO diformyl ether choocho  
1511 H2SO4 Sulfuric acid h2so4  
1512 H2SeO4 Selenic acid h2seo4  
1513 C3H3NO Isoxazole isox  
1514 C3H3NO Oxazole oxazole  
1515 C3H3NS Thiazole thiazole  
1516 CH3C(O)OO acetyl peroxy radical ch3coo2  
1517 CH3NO3 Methyl nitrate ch3no3  
1518 H3PO4 Phosphoric Acid h3po4  
1519 C4H4O Furan furan  
1520 C4H4O+ Furan cation furan+  
1521 CH3COCCH 3-butyn-2-one c1423605  
1522 C4H4S Thiophene furans  
1523 C4H4Se selenophene c4h4se  
1524 C3H4O2 β–Propiolactone beta  
1525 C3H4O2 2-Propenoic acid propenoic2  
1526 C3H4O2 Methyl glyoxal megly  
1527 C3H4O2 propanedial propanedial  
1528 C3H4O2 propenalol propenalol  
1529 HOCHCCHOH allenediol aldiol  
1530 C2H4O3 1,2,3-trioxolane c2h4o3  
1531 C2H4O3 trioxolane124 triox  
1532 HOCH2COOH Hydroxyacetic acid hac  
1533 CH2CHCONH2 Acrylamide c79061  
1534 CH3OCH2CN Methoxyacetonitrile c1738369  
1535 CH5N3S Hydrazinecarbothioamide c79196  
1536 H2NCH2COOH Glycine glycine  
1537 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1538 C4H6O cis-2-butenal butenal2c  
1539 C4H6O Cyclobutanone cbutone  
1540 C4H6O Furan, 2,3-dihydro- furan23h  
1541 C4H6O Furan, 2,5-dihydro- furan25h  
1542 CH2CHOCHCH2 Vinyl ether vinylether  
1543 CHOCHCHCH3 2-Butenal butenal2  
1544 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1545 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1546 CH2CHSCHCH2 Divinyl sulfide divis  
1547 C2H6N2O Urea, methyl- c598505  
1548 C3H6O2 1,3-Dioxolane dioxolane  
1549 CH3CH2COOH Propanoic Acid propanoic  
1550 CH3COOCH3 methyl acetate aame  
1551 HCOOC2H5 Ethyl formate faee  
1552 C2H6O2S Dimethyl sulfone c67710  
1553 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1554 C3H7NO dimethylformamide dmf  
1555 C3H7NO Propanamide propanam  
1556 C2H3OC2H5 Ethene, ethoxy- c109922  
1557 C4H8O Cyclobutanol c2919235  
1558 C4H8O Furan, tetrahydro- thf  
1559 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1560 CH3COCH2CH3 2-Butanone buta2one  
1561 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1562 CHOCH2CH2CH3 Butanal butanal  
1563 C4H8S Thiophene, tetrahydro- tht  
1564 C3H8O2 1,3-Propanediol c504632  
1565 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1566 C3H8O2 Methane, dimethoxy- c109875  
1567 C3H8O2 Propylene glycol c57556  
1568 C3H8S2 1,3-Propanedithiol c109808  
1569 C4H10O 1-Butanol butanol1  
1570 C4H10O 1-Propanol, 2-methyl- c78831  
1571 C4H10O 2-Butanol, (.+/-.)- butanol2  
1572 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1573 C4H10O Ethoxy ethane etoet  
1574 C4H10O Methyl propyl ether meopr  
1575 C4H10O Propane, 2-methoxy- c598538  
1576 C4H10O+ 1-Butanol cation butanol1+  
1577 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1578 C2H5SC2H5 Diethyl sulfide etset  
1579 C4H9SH 1-Butanethiol bush  
1580 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1581 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1582 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1583 FNO3 Fluorine nitrate fno3  
1584 ClONO2 Chlorine nitrate clono2  
1585 BrONO2 Bromine nitrate brono2  
1586 ClO4- perchlorate anion clo4-  
1587 BF4- tetrafluoroboron anion bf4-  
1588 ClFO3 Perchloryl fluoride clfo3  
1589 SO2F2 Sulfuryl fluoride so2f2  
1590 SO2Cl2 Sulfuryl chloride so2cl2  
1591 F3NO Nitrogen trifluoride oxide f3no  
1592 F3PO Phosphoryl fluoride pf3o  
1593 Cl3PO Phosphoryl chloride pcl3o  
1594 CF4 Carbon tetrafluoride cf4  
1595 CF3Cl Methane, chlorotrifluoro- cf3cl  
1596 SiF4 Silicon tetrafluoride sif4  
1597 CF2Cl2 difluorodichloromethane cf2cl2  
1598 TiF4 Titanium tetrafluoride tif4  
1599 CFCl3 Trichloromonofluoromethane cfcl3  
1600 CF3Br Bromotrifluoromethane cf3br  
1601 GeF4 Germanium tetrafluoride gef4  
1602 CCl4 Carbon tetrachloride ccl4  
1603 CCl4+ Carbon tetrachloride cation ccl4+  
1604 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1605 SiCl4 Silane, tetrachloro- sicl4  
1606 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1607 CF3I trifluoroiodomethane cf3i  
1608 CBrCl3 Methane, bromotrichloro- cbrcl3  
1609 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1610 GeCl4 Germanium Tetrachloride gecl4  
1611 CBr2ClF dibromochlorofluoromethane cbr2clf  
1612 CBr2Cl2 dibromodichloromethane cbr2cl2  
1613 CCl3I trichloroiodomethane ccl3i  
1614 CFBr3 fluorotribromomethane cfbr3  
1615 CFClBrI fluorochlorobromoiodomethane cfclbri  
1616 CBr3Cl tribromochloromethane cbr3cl  
1617 CF2I2 difluorodiiodomethane cf2i2  
1618 CBr4 Carbon tetrabromide cbr4  
1619 CCl2I2 dichlorodiiodomethane ccl2i2  
1620 SiBr4 Silicon tetrabromide sibr4  
1621 CBr3I tribromoiododmethane cbr3i  
1622 GeBr4 Germanium tetrabromide gebr4  
1623 CI4 tetraiodomethane ci4  
1624 SiI4 silicon tetraiodide sii4  
1625 ClOF3 Chlorine trifluoride oxide clof3  
1626 SeF4 Selenium tetrafluoride sef4  
1627 SCl4 Sulfur tetrachloride scl4  
1628 C2HF3 Trifluoroethylene c2hf3  
1629 C2HF3+ Trifluoroethylene cation c2hf3+  
1630 CHClCCl2 Trichloroethylene chclccl2  
1631 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1632 HClO4 perchloric acid hclo4  
1633 HSO3F Fluorosulfonic acid hso3f  
1634 CF3OH trifluoromethanol cf3oh  
1635 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1636 CHClCCHCl 1,3-dichloroallene chclcchcl  
1637 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1638 CHCl2CHO dichloroacetaldehyde chcl2cho  
1639 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1640 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1641 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1642 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1643 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1644 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1645 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1646 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1647 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1648 NH3BCl3 Amminetrichloroboron nh3bcl3  
1649 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1650 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1651 C3H5ClO Oxirane, (chloromethyl)- c106898  
1652 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1653 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1654 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1655 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1656 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1657 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1658 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1659 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1660 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1661 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1662 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1663 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1664 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1665 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1666 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1667 C4H9F 1-fluorobutane butaf1  
1668 CH3CHFCH2CH3 2-fluorobutane butaf2  
1669 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1670 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1671 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1672 XeF4 Xenon tetrafluoride xef4  
1673 C2H2N2O Furazan furazan  
1674 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1675 NH3BF3 Amminetrifluoroboron nh3bf3  
1676 C6H2 hexatriyne c6h2  
1677 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1678 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1679 C6H4 Benzyne benzyne  
1680 C6H5 phenyl phenyl  
1681 C6H5- phenyl anion phenyl-  
1682 C6H6 Prismane prismane  
1683 C6H6 1,2,4,5-Hexatetraene ht1245  
1684 C6H6 2,4-Hexadiyne hexadiyne  
1685 C6H6 3,4-Dimethylenecyclobutene cb34m  
1686 C6H6 Benzene benzene  
1687 C6H6 Benzvalene bv  
1688 C6H6 Dewar Benzene dewar  
1689 C6H6 Hexa-1,5-diene-3-yne hdy153  
1690 C6H6 Trimethylenecycopropane tmcp  
1691 C6H6+ Benzene cation c6h6+  
1692 C6H7+ benzene, protonated c6h7+  
1693 C6H8 (E)-hexa-1,3,5-triene c821078  
1694 C6H8 (E)-hexa-2,3,4-triene c59660650  
1695 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1696 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1697 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1698 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1699 C6H8 3-Methylenecyclopentene c930267  
1700 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1701 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1702 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1703 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1704 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1705 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1706 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1707 C6H10 1,5-Hexadiene c592427  
1708 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1709 C6H10 1-Hexyne hexyne1  
1710 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1711 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1712 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1713 C6H10 2-Hexyne c764352  
1714 C6H10 3-Hexyne hexyne3  
1715 C6H10 cyclohexene cyclohexene  
1716 C6H10 Cyclopentene, 1-methyl- c693890  
1717 C6H10 Cyclopentene, 3-methyl- c1120623  
1718 C6H10 Cyclopentene, 4-methyl- c1759815  
1719 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1720 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1721 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1722 C6H12 (E)-2-Hexene e2hexene  
1723 C6H12 (E)-3-methylpent-2-ene c616126  
1724 C6H12 (E)-hex-3-ene e3hexene  
1725 C6H12 (Z)-3-methylpent-2-ene c922623  
1726 C6H12 (Z)-hex-2-ene z2hexene  
1727 C6H12 (Z)-hex-3-ene z3hexene  
1728 C6H12 2,3-dimethylbut-1-ene c563780  
1729 C6H12 2,3-dimethyl-but-2-ene tmeet  
1730 C6H12 3-methylenepentane c760214  
1731 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1732 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1733 C6H12 Cyclohexane cyclohexane  
1734 C6H12 Cyclopentane, methyl- c96377  
1735 C6H12 Ethylcyclobutane c4806615  
1736 C6H12 hex-1-ene hexene1  
1737 C6H14 Butane, 2,2-dimethyl- buta22  
1738 C6H14 Butane, 2,3-dimethyl- buta23  
1739 C6H14 Hexane hexane  
1740 C6H14 Pentane, 2-methyl- penta2  
1741 C6H14 Pentane, 3-methyl- penta3  
1742 C4N2 2-Butynedinitrile c4n2  
1743 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1744 C4H2N2 Fumaronitrile c4h2n2  
1745 C2H2N4 sym-tetrazine ttz  
1746 C3H3N3 1,3,5-Triazine triazine135  
1747 CH3N5 5-Aminotetrazole c4418615  
1748 C4H4N2 1,3-Diazine diazine13  
1749 C4H4N2 Pyrazine pyrazine  
1750 C4H4N2 Pyridazine pyridazine  
1751 C4H4N2 Succinonitrile c110612  
1752 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1753 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1754 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1755 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1756 C5H5N E-2,4-pentadienenitrile bdcn  
1757 C5H5N Pyridine pyridine  
1758 B3N3H6 borazine borazine  
1759 C6H6 Fulvene fulvene  
1760 C5H6N+ Pyridinium c5h6n  
1761 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1762 C5H7N (E)-2-Pentenenitrile c26294984  
1763 C5H7N (E)-3-Pentenenitrile c16529661  
1764 C5H7N (Z)-2-Pentenenitrile c25899507  
1765 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1766 C5H7N Cyclobutanecarbonitrile c4426113  
1767 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1768 C5H9N Butanenitrile, 2-methyl- c18936179  
1769 C5H9N Pentanenitrile c110598  
1770 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1771 C6H10 Bicyclo[3.1.0]hexane c285585  
1772 C5H11N Cyclopentanamine cypentam  
1773 C5H11N Piperidine piper  
1774 C4H12N2 1,2-Butanediamine c4426486  
1775 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1776 Li2CO3 Lithium Carbonate li2co3  
1777 Na2CO3 Sodium Carbonate na2co3  
1778 C2O4-- oxalate anion c2o4  
1779 MgSO4 Magnesium Sulfate mgso4  
1780 N2O4 Dinitrogen tetroxide n2o4  
1781 C3H2O3 vinylene carbonate vica  
1782 C2H2O4 Oxalic Acid oxalic  
1783 C2H3NO3 Oxamic acid oxamic  
1784 C4H4O2 2(5H)-Furanone furanone  
1785 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1786 C2H4N2O2 Oxalamide oxalamide  
1787 C2H4N2S2 Ethanedithioamide c79403  
1788 C2H4CO3 Ethylene carbonate etco3  
1789 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1790 C3H4S3 1,3-Dithiolane-2-thione c822388  
1791 C2H4O4 Formic acid dimer fadimer  
1792 C4H5NO 3-Methylisoxazole isox3m  
1793 C4H5NO Isoxazole, 5-methyl- c5765446  
1794 C4H5NS 4-Methylthiazole c693958  
1795 C2H5NO3 Nitric acid, ethyl ester c625581  
1796 C5H6O 2H-Pyran pyran2  
1797 C5H6O 2-methylfuran furan2m  
1798 C5H6O 3-Methylfuran furan3m  
1799 C5H6O Pentadienal pdal  
1800 C5H6S Thiophene, 2-methyl- c554143  
1801 C5H6S Thiophene, 3-methyl- c616444  
1802 C4H6O2 γ–Butyrolactone c96480  
1803 C4H6O2 2,3-Butanedione c431038  
1804 C4H6O2 2-Propenoic acid, methyl ester c96333  
1805 C4H6O2 Crotonic Acid crot  
1806 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1807 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1808 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1809 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1810 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1811 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1812 C4H6OS Vinyl sulfoxide c1115157  
1813 CH6N4S Carbonothioic dihydrazide thiacarb  
1814 C2H6N2O2 (E)-Azodioxymethane c37765154  
1815 C2H6N2O2 Dimethylnitroamine c4164287  
1816 C3H6O3 1,3,5-Trioxane trioxane  
1817 C3H6S3 1,3,5-Trithiane c3h6s3  
1818 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1819 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1820 C4H7NO 2-Pyrrolidinone c616455  
1821 C4H7NO Ethoxyacetonitrile etoaccn  
1822 C4H7NO Methacrylamide c79390  
1823 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1824 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1825 C3H7ONO Propyl nitrite prono  
1826 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1827 CH3CH(NH2)COOH Alanine alanine  
1828 CH3NHCH2COOH Sarcosine sarcosine  
1829 NH2CH2CH2COOH β–alanine betaalanine  
1830 NH2COOC2H5 Urethane urethane  
1831 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1832 C5H8O Cyclopentanone c120923  
1833 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1834 C5H8O Methyl cyclopropyl ketone c765435  
1835 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1836 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1837 NH2CONHC2H5 Urea, ethyl- c625525  
1838 C4H8O2 1,3-Dioxane dioxan13  
1839 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1840 C4H8O2 1,4-Dioxane dioxan14  
1841 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1842 C4H8O2 Ethyl acetate c141786  
1843 C4H8OS s-Ethyl thioacetate c625605  
1844 C3H8O3 1,2,3-Propanetriol glycerin  
1845 C3H8O2S (Methylsulfonyl)ethane c594434  
1846 C4H9NO Butanamide c541355  
1847 C4H9NO Propanamide, 2-methyl- c563837  
1848 C5H10O 2-Butanone, 3-methyl- c563804  
1849 C5H10O 2H-Pyran, tetrahydro- c142687  
1850 C5H10O 2-methylbutyraldehyde 2meba  
1851 C5H10O 2-Pentanone mpk  
1852 C5H10O 3-Pentanone dek  
1853 C5H10O Cyclopentanol c96413  
1854 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1855 C5H10O Pentanal pal  
1856 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1857 C5H10S 3-Ethylthio-1-propene c5296628  
1858 C5H10S Cyclopentanethiol c1679078  
1859 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1860 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1861 C4H10O2 1,1-Dimethoxyethane c534156  
1862 C4H10O2 1,3-Butanediol budiol13  
1863 C4H10O2 1,4-Butanediol budiol14  
1864 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1865 C4H10OS Diethyl sulfoxide c70291  
1866 C4H10S2 1,4-Butanedithiol budisl14  
1867 C4H11NO Diethylhydroxylamine c3710847  
1868 C5H12O 1-Butanol, 2-methyl- c137326  
1869 C5H12O 1-Butanol, 3-methyl- c123513  
1870 C5H12O 1-Pentanol pentanol1  
1871 C5H12O 2-Butanol, 3-methyl- c598754  
1872 C5H12O 2-Pentanol peol2  
1873 C5H12O 3-Pentanol pentan3ol  
1874 C5H12O Butane, 1-methoxy- meobu  
1875 C5H12O Propane, 1-ethoxy- proet  
1876 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1877 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1878 C5H12S 1-Butanethiol, 3-methyl- c541311  
1879 C5H12S 1-Pentanethiol c110667  
1880 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1881 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1882 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1883 C5H12S Butane, 1-(methylthio)- c628295  
1884 C5H12S Ethyl propyl sulfide c4110503  
1885 C5H12S Propane, 2-(ethylthio)- c5145993  
1886 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1887 C4F2 difluorobutadiyne c4f2  
1888 ClCOClCO Oxalyl chloride oxcl  
1889 CF3CN Acetonitrile, trifluoro- cf3cn  
1890 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1891 B2F4 Diboron tetrafluoride b2f4  
1892 B2Cl4 Diboron tetrachloride b2cl4  
1893 C2F4 Tetrafluoroethylene c2f4  
1894 C2F4+ Tetrafluoroethylene cation c2f4+  
1895 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1896 CF2CCl2 difluorodichloroethylene cf2ccl2  
1897 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1898 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1899 C2FCl3 fluorotrichloroethene c2fcl3  
1900 C2Cl4 Tetrachloroethylene c2cl4  
1901 C2Br4 tetrabromoethene c2br4  
1902 CF3OF Trifluoromethylhypofluorite cf3of  
1903 SiF5- silicon pentafluoride anion sif5-  
1904 SOF4 Sulfur tetrafluoride oxide sof4  
1905 PF5 Phosphorus pentafluoride pf5  
1906 AsF5 Arsenic pentafluoride asf5  
1907 PCl5 Phosphorus pentachloride pcl5  
1908 SF5 Sulfur pentafluoride sf5  
1909 SF5+ pentafluoro sulfur cation sf5+  
1910 SbCl5 Antimony pentachloride sbcl5  
1911 BrF5 bromine pentafluoride brf5  
1912 ClF5 chlorinepentafluoride clf5  
1913 IF5 pentafluoroiodine if5  
1914 CF3CHO trifluoroacetaldehyde cf3cho  
1915 CCl3CHO trichloroacetaldehyde ccl3cho  
1916 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1917 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1918 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1919 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1920 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1921 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1922 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1923 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1924 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1925 CF3COOH trifluoroacetic acid cf3cooh  
1926 C4H3ClO Furan, 2-chloro fur2cl  
1927 C4H3ClO Furan,3-chloro fur3cl  
1928 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1929 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1930 C4H8Cl2 1,4-Dichlorobutane c110565  
1931 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1932 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1933 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1934 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1935 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1936 C5H11Cl Pentane, 1-chloro- pencl1  
1937 C4H8O2 Butanoic acid bua  
1938 C6H5CH2 benzyl radical benzyl  
1939 C7H7 cycloheptatrienyl radical c7h7  
1940 C7H7+ cycloheptatrienyl cation c7h7+  
1941 C6H5CH3 toluene toluene  
1942 C7H8 cycloheptatriene cht  
1943 C7H8 Norbornadiene norbor  
1944 C7H8 Quadricyclane qucy  
1945 C7H12 Norbornane nor  
1946 C7H14 cycloheptane c7h14  
1947 C7H16 2-methylhexane 2mhex  
1948 C7H16 3-methylhexane hex3m  
1949 C7H16 heptane heptane  
1950 CH(CN)3 tricyanomethane mecn3  
1951 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1952 C6H7N 2-Methylpyridine mp  
1953 C6H5NH2 aniline aniline  
1954 C6H13N 2-Methylpiperidine pip2m  
1955 C6H13N cyclohexanamine cham  
1956 C6H15N triethylamine tea  
1957 N2O5 Dinitrogen pentoxide n2o5  
1958 C4H2O3 Maleic Anhydride malan  
1959 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1960 C5H4O2 furfural furfural  
1961 C6H5O phenoxy radical phenoxy  
1962 C5H5NO 2(1H)-Pyridinone c72762006  
1963 C5H5NO 2(3H)-Pyridinone c9000048  
1964 C5H5NO 2(5H)-Pyridinone c9000037  
1965 C5H5NO 2-Pyridinol c109104  
1966 C5H5NO 3(2H)-Pyridinone c9000004  
1967 C5H5NO 3(4H)-Pyridinone c9000026  
1968 C5H5NO 3(6H)-Pyridinone c9000015  
1969 C5H5NO 3-Pyridinol c109002  
1970 C5H5NO 4(1H)-Pryidinone c9000060  
1971 C5H5NO 4(3H)-Pryidinone c9000059  
1972 C5H5NO 4-Pyridinol c626642  
1973 C6H5OH phenol phenol  
1974 C6H6O 2,4-Cyclohexadienone c24599573  
1975 C6H6O 2,5-Cyclohexadienone c5664335  
1976 C6H5SH Benzenethiol phsh  
1977 HO2CCHNH2CH2OH Serine serine  
1978 C5H8O2 Acetylacetone acac  
1979 C4H8O2S Sulfolane sulfolane  
1980 C7H10 Norbornene norbornene  
1981 CH(C2H3)3 trivinyl methane tvm  
1982 C6H10O cyclohexanone chexo  
1983 C6H12O hexanal c6h12o  
1984 C6H12O Oxepane oxepane  
1985 C3H7OC3H7 di-n-propyl ether propr  
1986 F2CCCF2 tetrafluoroallene pfa  
1987 CF3COO- trifluoro acetate anion cf3coo-  
1988 CF3COF trifluoroacetyl fluoride cf3cof  
1989 CF3COCl trifluoroacetyl chloride cf3cocl  
1990 PF6 Hexafluorophosphate neutral pf6  
1991 PF6- Hexafluorophosphate ion pf6-  
1992 SF6 Sulfur Hexafluoride sf6  
1993 SeF6 Selenium hexafluoride sef6  
1994 SF5Cl sulfur chloropentafluoride sf5cl  
1995 CF3CHF2 pentafluoroethane cf3chf2  
1996 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
1997 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
1998 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
1999 CCl3CHCl2 pentachloroethane ccl3chcl2  
2000 C6H5F Fluorobenzene bzf  
2001 C6H5Cl chlorobenzene bzcl  
2002 C6H5Br bromobenzene bzbr  
2003 C8H6 Calicene calicene  
2004 C6H5CCH phenylacetylene phac  
2005 C8H6 benzocyclobutadiene bcbd  
2006 C8H6 Pentalene pentalene  
2007 C6H5CHCH2 Styrene styrene  
2008 C8H8 cubane cubane  
2009 C8H8 cyclooctatetraene cot  
2010 C6H5CH2CH3 Ethylbenzene etbz  
2011 CH3C6H4CH3 meta-xylene mxylene  
2012 CH3C6H4CH3 paraxylene pxylene  
2013 C8H14 Bicyclo[2.2.2]octane bico222  
2014 C8H16 cyclooctane cyclooct  
2015 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2016 C8H18 Octane c8h18  
2017 C6H5CN phenyl cyanide phcn  
2018 C6H12N2 Triethylenediamine ted  
2019 C4O4-- squarate dianion c4o4--  
2020 S4N4 Tetrasulfur tetranitride s4n4  
2021 S8 Octasulfur s8  
2022 C6H4O2 parabenzoquinone pbq  
2023 C4H4N2O2 Uracil uracil  
2024 C6H5CHO benzaldehyde benzal  
2025 C6H5OCH3 Anisole anisole  
2026 C5H9NO2 Proline proline  
2027 C6H12O2 Methyl pivalate c598981  
2028 C6H12O2 Hexanoic acid hexa  
2029 C4F4 tetrafluorcyclobutadiene c4f4  
2030 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2031 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2032 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2033 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2034 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2035 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2036 C2F6 hexafluoroethane c2f6  
2037 C2Cl6 hexachloroethane c2cl6  
2038 IF7 Iodine heptafluoride if7  
2039 C6H4F2 metadifluorobenzene mdfb  
2040 C6H4F2 orthodifluorobenzene odfb  
2041 C6H4F2 1,4-difluorobenzene pdfb  
2042 C6H4Cl2 1,2-dichlorobenzene dcb12  
2043 C6H4Cl2 1,3-dichlorobenzene dcb13  
2044 C6H4Cl2 1,4-dichlorobenzene dcb14  
2045 C6H5NO nitrosobenzene bzno  
2046 C9H8 Indene indene  
2047 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2048 C9H12 n-propyl benzene prbz  
2049 C9H20 Nonane nonane  
2050 C(CN)4 tetracyanomethane c5n4  
2051 C5H4N4 purine purine  
2052 C8H7N Indole indole  
2053 C3H3N3O3 cyanuric acid cyanuric  
2054 C6H5NO2 Nitrobenzene c6h5no2  
2055 C6H5COOH benzoic acid benzo  
2056 CH3COC6H5 acetophenone acph  
2057 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2058 C3F6 hexafluoropropene c3f6  
2059 C6H3F3 Benzene trifluoride 123 bzf3a  
2060 C8H18O 1-Octanol octanol  
2061 C10H8 Azulene azu  
2062 C10H8 naphthalene naph  
2063 C10H10 bullvalene bullv  
2064 C10H16 adamantane adamantane  
2065 C6N4 Tetracyanoethylene tcne  
2066 C6N4- tetracyanoethylene anion tcne-  
2067 C10H22 Decane decane  
2068 C4F6 perfluorobutadiene c4f6  
2069 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2070 C3F8 perfluoropropane c3f8  
2071 Fe(CO)5 Iron pentacarbonyl ipc  
2072 Fe(C5H5)2 ferrocene fecp2  
2073 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2074 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2075 C12H8 Acenaphthylene acenaph  
2076 C12H8 biphenylene biph  
2077 C12H10 biphenyl biphenyl  
2078 C12H10 Heptalene heptalene  
2079 C6H12O6 Inositol inositol  
2080 C6F6 hexafluorobenzene c6f6  
2081 S2F10 disulphur decafluoride s2f10  
2082 C13H10 Fluorene fluorene  
2083 C14H10 Anthracene anth  
2084 C14H10 Phenanthrene phenanthrene  
2085 C14H14 Bibenzyl bibenzyl  
2086 C12H10N2 azobenzene azobenzene  
2087 C6H5COC6H5 benzophenone benzophenone  
2088 C16H10 Pyrene pyrene  
2089 C18H12 Tetracene tetracene  
2090 C19H16 Triphenylmethane tpm  
2091 C24H12 Coronene coronene  
2092 C60 Buckminsterfullerene c60