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 /STO-3G

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count Species Name State Conformation
1 H2 Hydrogen diatomic 1ΣgD∞h
2 Li Lithium atom 2SKh
3 Na Sodium atom 2SKh
4 K Potassium atom 2SKh
5 Cu Copper atom 2SKh
6 LiH Lithium Hydride 1ΣC∞v
7 Be Beryllium atom 1SKh
8 Be+ Beryllium atom cation 2SKh
9 Mg Magnesium atom 1SKh
10 Mg+ Magnesium atom cation 2SKh
11 B Boron atom 2PKh
12 B Boron atom 4PKh
13 B+ Boron atom cation 1SKh
14 Al Aluminum atom 2PKh
15 Al+ Aluminum atom cation 1SKh
16 C Carbon atom 3P0Kh
17 C Carbon atom 3P1Kh
18 C+ Carbon atom cation 2PKh
19 Si Silicon atom 3PKh
20 Si Silicon atom 1SKh
21 Si+ Silicon atom cation 2PKh
22 Ti Titanium atom 3FKh
23 CH4 Methane 1A1Td
24 N Nitrogen atom 4SKh
25 N Nitrogen atom 2DKh
26 N+ Nitrogen atom cation 3PKh
27 P Phosphorus atom 4SKh
28 NH3 Ammonia 1A1C3v
29 O Oxygen atom 3SKh
30 O+ Oxygen atom cation 4SKh
31 S Sulfur atom 3PKh
32 OH Hydroxyl radical 2ΠC∞v
33 H2O Water 1A1C2v
34 F Fluorine atom 2PKh
35 F+ Fluorine atom cation 3SKh
36 Cl+ Chlorine atom cation 3PKh
37 HF Hydrogen fluoride 1ΣC∞v
38 HCl Hydrogen chloride 1ΣC∞v
39 Na2 Sodium diatomic 1ΣgD∞h
40 C2H2 Acetylene 1ΣgD∞h
41 C2H4 Ethylene 1AgD2h
42 C2H6 Ethane 1A1gD3d
43 BN boron nitride 3ΠC∞v
44 AlN Aluminum nitride 3ΠiC∞v
45 N2 Nitrogen diatomic 1ΣgD∞h
46 N2H2 (E)-diazene 1AgC2h
47 BO- boron monoxide anion 1ΣC∞v
48 CO Carbon monoxide 1ΣC∞v
49 CSe Carbon monoselenide 1ΣC∞v
50 NO Nitric oxide 2ΠC∞v
51 O2 Oxygen diatomic 3ΣgD∞h
52 SeO Selenium monoxide 3ΣC∞v
53 SeS Selenium monosulfide 3ΣC∞v
54 H2CO Formaldehyde 1A1C2v
55 BF Boron monofluoride 1ΣC∞v
56 CF- carbon monofluoride anion 3ΣC∞v
57 F2 Fluorine diatomic 1ΣgD∞h
58 Cl2 Chlorine diatomic 1ΣgD∞h
59 C3H5 Allyl radical 2A2C2v
60 C3H6 Cyclopropane 1A1'D3h
61 CH2CHCH3 Propene 1A'Cs
62 HN3 hydrogen azide 1A'Cs
63 NHCHNH2 aminomethanimine 1AC1
64 Li2O dilithium oxide 1ΣgD∞h
65 CO2 Carbon dioxide 1ΣgD∞h
66 SO2 Sulfur dioxide 1A1C2v
67 HCCF Fluoroacetylene 1ΣC∞v
68 C4 Carbon tetramer 3ΣgD∞h
69 C3H4O allenol 1A'Cs
70 NH2CONH2 Urea 1AC2
71 BF3 Borane, trifluoro- 1A'D3h
72 AlF3 Aluminum trifluoride 1A1'D3h
73 SOCl2 thionyl chloride 1A'Cs
74 NI3 Nitrogen triiodide   
75 TiCl4 Titanium tetrachloride 1A1Td
76 SF4 Sulfur tetrafluoride 1A1C2v
77 C2Cl6 hexachloroethane 1A1gD3d
78 C6H5COOH benzoic acid 1A'Cs

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 ca  
36 Ca- Calcium atom anion ca-  
37 Ca+ Calcium atom cation ca+  
38 Zn Zinc atom zn  
39 Zn- Zinc atom anion zn-  
40 Zn+ Zinc atom cation zn+  
41 BeH beryllium monohydride beh  
42 BeH- berylium monohydride anion beh-  
43 BeH+ beryllium monohydride cation beh+  
44 MgH magnesium monohydride mgh  
45 MgH- magnesium monohydride anion mgh-  
46 MgH+ magnesium monohydride cation mgh+  
47 CaH Calcium monohydride cah  
48 CaH+ Calcium monohydride cation cah+  
49 TiH Titanium monohydride tih  
50 ZnH Zinc monohydride znh  
51 ZnH+ Zinc, protonated znh+  
52 BeH2 beryllium dihydride beh2  
53 BeH2+ Beryllium dihydride cation beh2+  
54 MgH2 magnesium dihydride mgh2  
55 CaH2 Calcium Hydride cah2  
56 ZnH2 Zinc hydride znh2  
57 B- Boron atom anion b-  
58 Al- Aluminum atom anion al-  
59 Sc Scandium atom sc  
60 Sc+ Scandium cation sc+  
61 Ga Gallium atom ga  
62 Ga- Gallium atom anion ga-  
63 Ga+ Gallium atom cation ga+  
64 BH Boron monohydride bh  
65 BH- boron monohydride anion bh-  
66 BH+ boron monohydride cation bh+  
67 AlH aluminum monohydride alh  
68 AlH- aluminum monohydride anion alh-  
69 AlH+ aluminum monohydride cation alh+  
70 ScH Scandium monohydride sch  
71 ScH+ Scandium monohydride cation sch+  
72 GaH Gallium monohydride gah  
73 GaH+ Gallium monohydride cation gah+  
74 BH2 boron dihydride bh2  
75 BH2- boron dihydride anion bh2-  
76 BH2+ Boron dihydride cation bh2+  
77 AlH2 aluminum dihydride alh2  
78 AlH2- aluminum dihydride anion alh2-  
79 AlH2+ aluminum dihydride cation alh2+  
80 BH3 boron trihydride bh3  
81 BH3- boron trihydride anion bh3-  
82 BH3+ boron trihydride cation bh3+  
83 AlH3 aluminum trihydride alh3  
84 AlH3- aluminum trihydride anion alh3-  
85 AlH3+ aluminum trihydride cation alh3+  
86 ScH3 Scandium trihydride sch3  
87 GaH3 Gallium trihydride gah3  
88 BH4 borohydride bh4  
89 BH4- borohydride anion bh4-  
90 AlH4- Aluminum tetrahydride anion alh4-  
91 C- Carbon atom anion c-  
92 Si- Silicon atom anion si-  
93 Ti- Titanium atom anion ti-  
94 Ti+ Titanium atom cation ti+  
95 Ge Germanium atom ge  
96 Ge- Germanium anion ge-  
97 Ge+ Germanium cation ge+  
98 Sn Tin atom sn  
99 Sn+ Tin cation sn+  
100 CH Methylidyne ch  
101 CH- methylidyne anion ch-  
102 CH+ Methylidyne cation ch+  
103 SiH Silylidyne sih  
104 SiH- silicon monohydride anion sih-  
105 SiH+ silicon monohydride cation sih+  
106 GeH germylidene geh  
107 GeH+ Germaniun monohyrdide cation geh+  
108 CH2 Methylene ch2  
109 CH2- methylene anion ch2-  
110 CH2+ methylene cation ch2+  
111 SiH2 silicon dihydride sih2  
112 SiH2- silicon dihydride anion sih2-  
113 SiH2+ silicon dihydride cation sih2+  
114 GeH2 germylene geh2  
115 GeH2- germylene anion geh2-  
116 CH3 Methyl radical ch3  
117 CH3- methyl anion ch3-  
118 CH3+ methyl cation ch3+  
119 SiH3 Silyl radical sih3  
120 SiH3- Silyl anion sih3-  
121 SiH3+ Silyl cation sih3+  
122 GeH3 Germyl radical geh3  
123 GeH3+ germyl cation geh3+  
124 CD4 methane-d4 cd4  
125 CH2D2 methane-d2 ch2d2  
126 CH3D methane-d ch3d  
127 CH4- Methane anion ch4-  
128 CH4+ Methane cation ch4+  
129 CHD3 methane-d3 chd3  
130 SiH2D2 silane-d2 sih2d2  
131 SiH4 Silane sih4  
132 SiH4+ Silane cation sih4+  
133 GeH4 Germane geh4  
134 SnH4 Stannane snh4  
135 SiH5+ Silane, protonated sih5+  
136 N- Nitrogen atom anion n-  
137 P- Phosphorus atom anion p-  
138 P+ Phosphorus atom cation p+  
139 V Vanadium atom v  
140 V+ Vanadium atom cation v+  
141 As Arsenic atomic as  
142 As- Arsenic anion as-  
143 As+ Arsenic cation as+  
144 Sb Antimony atom sb  
145 NH Imidogen nh  
146 NH- Imidogen anion nh-  
147 NH+ imidogen cation nh+  
148 PH phosphorus monohydride ph  
149 PH- phosphorus monohydride anion ph-  
150 PH+ phosphorus monohydride cation ph+  
151 AsH Arsenic monohydride ash  
152 AsH+ Arsenic monohydride cation ash+  
153 SbH Antimony monohydride sbh  
154 ND2 Amidogen-d2 nd2  
155 NH2 Amino radical nh2  
156 NH2- amino anion nh2-  
157 NH2+ Amino cation nh2+  
158 PH2 Phosphino radical ph2  
159 PH2- Phosphino anion ph2-  
160 PH2+ Phosphino cation ph2+  
161 AsH2 Arsenic dihydride ash2  
162 AsH2+ Arsenic dihydride cation ash2+  
163 ND3 Ammonia-d3 nd3  
164 NH3- Ammonia anion nh3-  
165 NH3+ ammonia cation nh3+  
166 PH3 Phosphine ph3  
167 PH3+ Phosphine cation ph3+  
168 AsH3 Arsine ash3  
169 AsH3+ Arsine cation ash3+  
170 SbH3 Stibine sbh3  
171 AsH4+ Arsonium ash4+  
172 NH4 Ammonium radical nh4  
173 NH4+ ammonium cation nh4+  
174 PH4 Phosphoranyl radical ph4  
175 PH4+ phosphonium cation ph4+  
176 O- Oxygen atom anion o-  
177 S- Sulfur atom anion s-  
178 S+ Sulfur atom cation s+  
179 Cr Chromium atom cr  
180 Se Selenium atom se  
181 Se- Selenium atom anion se-  
182 Se+ Selenium atom cation se+  
183 Te Tellurium atom te  
184 Te+ Tellurium atom cation te+  
185 DO Hydroxyl-d od  
186 OH- hydroxide anion oh-  
187 OH+ hydoxyl cation oh+  
188 DS Mercapto-d ds  
189 HS Mercapto radical hs  
190 HS- mercapto anion sh-  
191 HS+ sulfur monohydride cation sh+  
192 CrH Chromium hydride crh  
193 CrH+ Chromium hydride cation crh+  
194 HSe Selenium monohydride hse  
195 HSe- selenium monohydride anion hse-  
196 HSe+ selenium monohydride cation hse+  
197 TeH Telluryl radical teh  
198 D2O Deuterium oxide d2o  
199 H2O- water anion h2o-  
200 H2O+ water cation h2o+  
201 HDO Water-d1 hdo  
202 D2S Hydrogen sulfide-d2 d2s  
203 H2S Hydrogen sulfide h2s  
204 H2S- Hydrogen sulfide anion h2s-  
205 H2S+ Hydrogen sulfide cation h2s+  
206 H2Se Hydrogen selenide h2se  
207 H2Se+ Hydrogen selenide cation h2se+  
208 H2Te Hydrogen Telluride h2te  
209 H3O+ hydronium cation h3o+  
210 H3S+ Sulfonium cation h3s+  
211 H3Se+ Hydrogen Selenide, protonated h3se+  
212 F- Fluorine atom anion f-  
213 Cl- Chlorine atom anion cl-  
214 Mn Manganese atom mn  
215 Br Bromine atom br  
216 Br- Bromine atom anion br-  
217 Br+ Bromine atom cation br+  
218 I Iodine atom iodine  
219 I- Iodine atom anion iodine-  
220 I+ Iodine atom cation iodine+  
221 DF Hydrofluoric acid-d df  
222 HF- hydrogen fluoride anion hf-  
223 HF+ hydrogen fluoride cation hf+  
224 DCl Hydrochloric acid-d dcl  
225 HCl- hydrogen chloride anion hcl-  
226 HCl+ hydrogen chloride cation hcl+  
227 HBr hydrogen bromide hbr  
228 HBr- hydrogen bromide anion hbr-  
229 HBr+ hydrogen bromide cation hbr+  
230 HI Hydrogen iodide hi  
231 HI+ Hydrogen iodide cation hi+  
232 H2F+ dihydrogen fluoride cation h2f+  
233 H2Cl+ dihydrogen monochloride cation h2cl+  
234 H2Br+ protonated hydrogen bromide h2br+  
235 H2I+ Iodonium h2i+  
236 Ne- Neon atom anion ne-  
237 Ne+ Neon atom cation ne+  
238 Ar- Argon atom anion ar-  
239 Ar+ Argon atom cation ar+  
240 Fe Iron atom fe  
241 Kr Krypton atom kr  
242 Kr+ Krypton cation kr+  
243 Xe Xenon atom xe  
244 HeLi+ Helium Lithium cation heli+  
245 NeH neon hydrogen neh  
246 NeH+ neon hydrogen cation neh+  
247 ArH+ Argon hydride cation arh+  
248 KrH+ Protonated Krypton krh+  
249 XeH+ Xenon, protonated xeh+  
250 H2Ar H2 Ar dimer h2ar  
251 Co Cobalt atom cobalt  
252 Ni Nickel atom ni  
253 Li2 Lithium diatomic li2  
254 Li2- lithium diatomic anion li2-  
255 Li2+ lithium diatomic cation li2+  
256 NaLi lithium sodium lina  
257 NaLi- lithium sodium anion lina-  
258 NaLi+ lithium sodium cation lina+  
259 LiK Lithium Potassium lik  
260 Na2- sodium diatomic anion na2-  
261 Na2+ sodium diatomic cation na2+  
262 NaK Sodium Potassium nak  
263 NaK+ Sodium Potassium diatomic cation nak+  
264 K2 Potassium diatomic k2  
265 Cu2 Copper diatomic cu2  
266 LiBe Lithium Beryllium libe  
267 LiMg Lithium magnesium limg  
268 NaBe Sodium Beryllium nabe  
269 NaMg Sodium Magnesium namg  
270 Be2 Beryllium diatomic be2  
271 Be2- Beryllium diatomic anion be2-  
272 Be2+ Beryllium diatomic cation be2+  
273 BeMg Beryllium Magnesium bemg  
274 Mg2 Magnesium diatomic mg2  
275 Mg2- magnesium diatomic anion mg2-  
276 Mg2+ magnesium diatomic cation mg2+  
277 Ca2 Calcium diatomic ca2  
278 LiB Lithium boride lib  
279 LiAl Lithium Aluminum lial  
280 NaAl Sodium aluminum naal  
281 BeB Beryllium monoboride beb  
282 B2 Boron diatomic b2  
283 B2- Boron diatomic anion b2-  
284 B2+ Boron diatomic cation b2+  
285 BAl Boron Aluminum bal  
286 Al2 Aluminum diatomic al2  
287 Al2- aluminum diatomic anion al2-  
288 Al2+ aluminum diatomic cation al2+  
289 BGa Boron Gallium bga  
290 AlGa Aluminum Gallium alga  
291 Ga2 Gallium diatomic ga2  
292 HBBH Diborane(2) hbbh  
293 LiBH4 Lithium borohydride libh4  
294 B2H4 Diborane(4) D2d b2h4  
295 HBHHBH Diborane(4) C2V hbhhbh  
296 B2H6 Diborane b2h6  
297 B2H6+ Diborane cation b2h6  
298 Al2H6 dialane al2h6  
299 Ga2H6 digallane ga2h6  
300 LiC Lithium Carbide lic  
301 BeC Beryllium Carbide bec  
302 CaC Calcium monocarbide cac  
303 BC boron monocarbide bc  
304 BC- boron monocarbide anion bc-  
305 BC+ boron monocarbide cation bc+  
306 AlC Aluminum carbide alc  
307 BSi Boron silicide bsi  
308 C2 Carbon diatomic c2  
309 C2- carbon diatomic anion c2-  
310 C2+ carbon diatomic cation c2+  
311 SiC silicon monocarbide sic  
312 SiC- silicon monocarbide anion sic-  
313 SiC+ silicon monocarbide cation sic+  
314 Si2 Silicon diatomic si2  
315 Si2- silcon diatomic anion si2-  
316 Si2+ silcon diatomic cation si2+  
317 GeC Germanium monocarbide gec  
318 SiGe Silicon Germanium sige  
319 Ge2 Germanium diatomic ge2  
320 C2H Ethynyl radical c2h  
321 C2H- Ethynyl anion c2h-  
322 C2H+ Ethynyl cation c2h+  
323 ZnCH2 Zinc methylene znch2  
324 C2H2+ acetylene cation c2h2+  
325 CCH2 vinylidene vinylidene  
326 H2CC- vinylidene anion h2cc-  
327 HCCH- acetylene anion c2h2-  
328 Si2H2 disilyne si2h2  
329 CH3Li methyl lithium ch3li  
330 CuCH3 monomethyl copper cuch3  
331 ZnCH3 Zinc monomethyl znch3  
332 CH2BH methyleneborane ch2bh  
333 C2H3 vinyl c2h3  
334 C2H3- vinyl anion c2h3-  
335 C2H3+ vinyl cation c2h3+  
336 C2H4- Ethylene anion c2h4-  
337 C2H4+ Ethylene cation c2h4+  
338 CH3CH methylmethylene ch3ch  
339 CH2SiH2 silaethylene ch2sih2  
340 Si2H4 Disilene si2h4  
341 CH3BH2 methylborane ch3bh2  
342 C2H5 Ethyl radical c2h5  
343 C2H5- Ethyl anion c2h5-  
344 C2H5+ Ethyl cation c2h5+  
345 C2H6+ ethane cation c2h6+  
346 CH3SiH3 methyl silane ch3sih3  
347 Si2H6 disilane si2h6  
348 GeH3CH3 methyl germane geh3ch3  
349 C2H7+ Ethane, protonated c2h7+  
350 LiN Lithium Nitride lin  
351 LiN+ Lithium Nitride cation lin+  
352 LiP Lithium monophosphide lip  
353 BeN Beryllium mononitride ben  
354 BeN- Beryllium mononitride anion ben-  
355 BeN+ Beryllium mononitride cation ben+  
356 MgN Magnesium Nitride mgn  
357 BN- boron nitride anion bn-  
358 AlN- aluminum mononitride anion aln-  
359 AlN+ aluminum mononitride cation aln+  
360 BP Boron monophosphide bp  
361 AlP Aluminum monophosphide alp  
362 GaN Gallium mononitride gan  
363 GaP Gallium monophosphide gap  
364 GaAs Gallium arsenide gaas  
365 BN+ boron nitride cation bn+  
366 CN Cyano radical cn  
367 CN- cyanide anion cn-  
368 CN+ Cyano cation cn+  
369 CP Carbon monophosphide cp  
370 CP- carbon monophosphide anion cp-  
371 CP+ carbon monophosphide cation cp+  
372 SiN Silicon nitride sin  
373 SiN- silicon mononitride anion sin-  
374 SiN+ silicon mononitride cation sin+  
375 SiP Silicon monophosphide sip  
376 SiP- Silicon monophosphide anion sip-  
377 SiP+ Silicon monophosphide cation sip+  
378 TiN Titanium mononitride tin  
379 N2- nitrogen diatomic anion n2-  
380 N2+ diatomic nitrogen cation n2+  
381 PN Phosphorus mononitride pn  
382 PN- phosphorus nitride anion pn-  
383 PN+ phosphorus nitride cation pn+  
384 P2 Phosphorus diatomic p2  
385 P2- phosphorus diatomic anion p2-  
386 P2+ phosphorus diatomic cation p2+  
387 AsN Arsenic mononitride asn  
388 AsP Arsenic monophosphide asp  
389 SbN Antimony nitride sbn  
390 As2 Arsenic diatomic as2  
391 HNB hydrogen nitrogen boron hnb  
392 HNC hydrogen isocyanide hnc  
393 HCN Hydrogen cyanide hcn  
394 HCN- Hydrogen cyanide anion hcn-  
395 HCN+ hydrogen cyanide cation hcn+  
396 HNC+ hydrogen isocyanide cation hnc+  
397 HCP Phosphaethyne hcp  
398 HCP+ Phosphaethyne cation hcp+  
399 NNH Dinitrogen monohydride nnh  
400 NNH+ Dinitrogen monohydride cation nnh+  
401 HPO Hydrogen phosphorus oxide hpo  
402 HPO+ Hydrogen phosphorus oxide cation hpo+  
403 LiNH2 lithium amide linh2  
404 HBNH Boranimine hbnh  
405 CNH2 Aminomethylidyne radical cnh2  
406 CNH2+ N-protonated hydrogen isocyanide cnh2+  
407 H2CN Dihydrogen cyanide radical h2cn  
408 H2CN+ hydrocyanonium cation h2cn+  
409 HCNH methyleneazane hcnh  
410 HCNH+ N-protonated HCN hcnh+  
411 H2NN Isodiazene h2nn  
412 N2H2 (Z)-Diazene n2h2z  
413 N2H2+ trans-diazene cation n2h2+  
414 CH2NH Methanimine ch3n  
415 CH2NH+ Methanimine cation ch2nh+  
416 CHNH2 aminomethylene chnh2  
417 CHNH2+ Aminocarbene cation chnh2+  
418 CH2PH Phosphaethene ch3p  
419 BH2NH2 Boranamine bh2nh2  
420 CH2NH2+ methyleneamine cation ch2nh2+  
421 N2H4 Hydrazine n2h4  
422 N2H4+ hydrazine cation n2h4+  
423 P2H4 Diphosphine p2h4  
424 CH3NH2 methyl amine ch3nh2  
425 CH3NH2+ methyl amine cation ch3nh2+  
426 CH3PH2 Methyl phosphine ch3ph2  
427 SiH3NH2 Silane, amino sih3nh2  
428 N2H5+ protonated hydrazine n2h5+  
429 BH3PH3 borane phosphine bh3ph3  
430 BH3NH3 borane ammonia bh3nh3  
431 CH3NH3 methyl ammonium radical ch3nh3  
432 CH3NH3+ protonated methylamine ch3nh3+  
433 CH3PH3+ methyl phosphine, protonated ch3ph3+  
434 NH3NH3 Ammonia Dimer nh3nh3  
435 N2H7+ ammonia ammonium dimer n2h7+  
436 LiO lithium oxide lio  
437 LiO- lithium oxide anion lio-  
438 LiO+ lithium oxide cation lio+  
439 LiS Lithium monosulfide lis  
440 LiS+ Lithium sulfide cation lis+  
441 NaO sodium monoxide nao  
442 NaO- sodium oxide anion nao-  
443 NaO+ sodium oxide cation nao+  
444 KO Potassium monoxide ko  
445 KO+ Potassium monoxide cation ko+  
446 NaS Sodium sulfide nas  
447 CuO Copper Monoxide cuo  
448 LiSe Lithium monoselenide lise  
449 BeO beryllium oxide beo  
450 BeO- Beryllium monoxide anion beo-  
451 BeO+ Beryllium monoxide cation beo+  
452 BeS beryllium sulfide bes  
453 MgO magnesium oxide mgo  
454 MgO- magnesium oxide anion mgo-  
455 MgO+ magnesium oxide cation mgo+  
456 CaO Calcium monoxide cao  
457 MgS magnesium sulfide mgs  
458 MgS- magnesium sulfide anion mgs-  
459 MgS+ magnesium sulfide cation mgs+  
460 CaS Calcium sulfide cas  
461 ZnO zinc monoxide zno  
462 ZnS Zinc sulfide zns  
463 BeS- Beryllium monosulfide anion bes-  
464 BeS+ Beryllium monosulfide cation bes+  
465 BO boron monoxide bo  
466 AlO Aluminum monoxide alo  
467 AlO- Aluminum monoxide anion alo-  
468 AlO+ aluminum monoxide cation alo+  
469 BS boron sulfide bs  
470 BS- boron monosulfide anion bs-  
471 BS+ boron monosulfide cation bs+  
472 AlS Aluminum sulfide als  
473 AlS- aluminum monosulfide anion als-  
474 AlS+ aluminum monosulfide cation als+  
475 ScO Scandium monoxide sco  
476 GaO Gallium monoxide gao  
477 GaS Gallium monosulfide gas  
478 BO+ boron monoxide cation bo+  
479 CO- carbon monoxide anion co-  
480 CO+ carbon monoxide cation co+  
481 CS carbon monosulfide cs  
482 CS- carbon monosulfide anion cs-  
483 CS+ carbon monosulfide cation cs+  
484 SiO Silicon monoxide sio  
485 SiO- silicon monoxide anion sio-  
486 SiO+ silicon monoxide cation sio+  
487 SiS silicon monosulfide sis  
488 SiS- silicon monosulfide anion sis-  
489 SiS+ silicon monosulfide cation sis+  
490 TiO Titanium monoxide tio  
491 CSe- Carbon monoselenide anion cse-  
492 CSe+ Carbon monoselenide cation cse+  
493 GeO Germanium monoxide geo  
494 GeO+ Germanium monoxide cation geo+  
495 GeS Germanium monosulfide ges  
496 SiSe Silicon Monoselenide sise  
497 SiSe+ Silicon Monoselenide cation sise+  
498 GeSe Germanium monoselenide gese  
499 NO- nitric oxide anion no-  
500 NO+ nitric oxide cation no+  
501 NS Mononitrogen monosulfide ns  
502 NS- nitrogen sulfide anion ns-  
503 NS+ nitrogen sulfide cation ns+  
504 PO Phosphorus monoxide po  
505 PO- phosphorus monoxide anion po-  
506 PO+ phosphorus monoxide cation po+  
507 PS phosphorus sulfide ps  
508 PS- phosphorus monosulfide anion ps-  
509 PS+ phosphorus monosulfide cation ps+  
510 VO Vanadium monoxide vo  
511 AsO Arsenic monoxide aso  
512 NSe Nitrogen monoselenide nse  
513 AsS Arsenic monosulfide ass  
514 PSe Phosphorus monoselenide pse  
515 AsSe Arsenic monoselenide asse  
516 O2- oxygen diatomic anion o2-  
517 O2-- dioxygen dianion o2--  
518 O2+ diatomic oxygen cation o2+  
519 SO Sulfur monoxide so  
520 SO- sulfur monoxide anion so-  
521 SO+ sulfur monoxide cation so+  
522 S2 Sulfur diatomic s2  
523 S2- sulfur diatomic anion s2-  
524 S2+ sulfur diatomic cation s2+  
525 SeO- selenium monoxide anion seo-  
526 SeO+ selenium monoxide cation seo+  
527 SeS- selenium monosulfide anion ses-  
528 SeS+ selenium monosulfide cation ses+  
529 TeO Tellurium monoxide teo  
530 Se2 Selenium diatomic se2  
531 Se2- selenium diatomic anion se2-  
532 Se2+ selenium diatomic cation se2+  
533 Te2 Tellurium diatomic te2  
534 LiOH lithium hydroxide lioh  
535 NaOH sodium hydroxide naoh  
536 KOH Potassium hydroxide koh  
537 BeOH beryllium monohydroxide beoh  
538 MgOH magnesium hydroxide mgoh  
539 CaOH Calcium monohydroxide caoh  
540 HBO Boron hydride oxide hbo  
541 HBS hydrogen boron sulfide hbs  
542 COH Hydroxymethylidyne coh  
543 COH+ Carbon Monoxide, protonated coh+  
544 HCO Formyl radical hco  
545 HCO- formyl anion hco-  
546 HCO+ Formyl cation hco+  
547 HCS Thioformyl radical hcs  
548 HCS- Thioformyl anion hcs-  
549 HCS+ Thioformyl cation hcs+  
550 HNO Nitrosyl hydride hno  
551 HNO- Nitrosyl hydride anion hno-  
552 HNO+ Nitrosyl hydride cation hno+  
553 NOH Hydroxyimidogen noh  
554 NOH+ O-protonated nitric oxide noh+  
555 HNS Sulfur imide hns  
556 HNS- Sulfur imide anion hns-  
557 HO2 Hydroperoxy radical ho2  
558 HO2- Hydroperoxy anion ho2-  
559 HO2+ Hydroperoxy cation ho2+  
560 HSO+ Sulfur Monoxide, S-protonated HSO+  
561 SOH Sulfur Hydroxide soh  
562 SOH+ Sulfur Monoxide, protonated soh+  
563 HS2 Thiosulfeno radical hs2  
564 H2CO- formaldehyde anion h2co-  
565 H2CO+ formaldehyde cation h2co+  
566 HOCH hydroxycarbene hoch  
567 H2CS Thioformaldehyde h2cs  
568 H2CS- thioformaldehyde anion h2cs-  
569 H2CS+ thioformaldehyde cation h2cs+  
570 H2CSe Selenoformaldehyde h2cse  
571 H2NO nitroxide h2no  
572 H2O2 Hydrogen peroxide h2o2  
573 H2O2+ Hydrogen peroxide cation h2o2+  
574 H2OO water oxide h2oo  
575 HOSH hydrogen thioperoxide hosh  
576 H2S2 Disulfane h2s2  
577 H2S2+ hydrogen disulfide cation h2s2+  
578 H2Se2 hydrogen diselenide h2se2  
579 CH2OH Hydroxymethyl radical ch2oh  
580 CH2OH+ hydroxymethyl cation ch2oh+  
581 CH3O Methoxy radical ch3o  
582 CH3O- methoxy anion ch3o-  
583 CH3O+ Methoxy cation ch3o+  
584 CH3S thiomethoxy ch3s  
585 H2CSH+ Thioformaldehyde, protonated h2csh+  
586 NH2OH hydroxylamine nh2oh  
587 NH2OH+ Hydroxylamine cation nh2oh+  
588 NH3O Ammonia Oxide nh3o  
589 H2POH Phosphinous acid h2poh  
590 H3PO Phosphine oxide h3po  
591 NH2SH Thiohydroxylamine nh2sh  
592 NH3S sulfidoazane nh3s  
593 H3O2+ hydrogen peroxide, protonated h3o2+  
594 CH3OH Methyl alcohol ch3oh  
595 CH3OH- Methyl alcohol anion ch3oh-  
596 CH3OH+ Methyl alcohol cation ch3oh+  
597 CH3SH Methanethiol ch3sh  
598 CH3SH+ Methanethiol cation ch3sh+  
599 SiH3OH silanol sih3oh  
600 CH3SeH Methane selenol ch3seh  
601 NH2OH2+ protonated hydroxylamine nh2oh2+  
602 NH3OH+ N-protonated hydroxylamine nh3oh+  
603 H2OH2O water dimer h2oh2o  
604 CH3OH2+ Methanol, protonated ch3oh2+  
605 CH3SH2+ protonated methylsulfide ch3sh2+  
606 H2ONH3 Water Ammonia Dimer h2onh3  
607 H5O2+ Dihydroxonium ion h5o2+  
608 LiF lithium fluoride lif  
609 LiCl lithium chloride licl  
610 LiCl- lithium chloride anion licl-  
611 LiCl+ lithium chloride cation licl+  
612 NaF sodium fluoride naf  
613 NaF- sodium fluoride anion naf-  
614 NaF+ sodium fluoride cation naf+  
615 KF Potassium Fluoride kf  
616 NaCl Sodium Chloride nacl  
617 NaCl- sodium chloride anion nacl-  
618 NaCl+ sodium chloride cation nacl+  
619 KCl Potassium Chloride kcl  
620 CuF Copper monofluoride cuf  
621 LiBr Lithium Bromide libr  
622 LiBr- lithium bromide anion libr-  
623 LiBr+ lithium bromide cation libr+  
624 CuCl Copper monochloride cucl  
625 NaBr Sodium Bromide nabr  
626 NaBr- sodium bromide anion nabr-  
627 NaBr+ sodium bromide cation nabr+  
628 KBr Potassium Bromide kbr  
629 LiI Lithium Iodide lii  
630 NaI Sodium Iodide nai  
631 KI Potassium Iodide ki  
632 LiF- lithium fluoride anion lif-  
633 LiF+ lithium fluoride cation lif+  
634 BeF Beryllium monofluoride bef  
635 BeF- Beryllium monofluoride anion bef-  
636 BeF+ Beryllium monofluoride cation bef+  
637 BeCl beryllium monochloride becl  
638 MgF Magnesium monofluoride mgf  
639 MgF- magnesium fluoride anion mgf-  
640 MgF+ magnesium fluoride cation mgf+  
641 CaF Calcium monofluoride caf  
642 MgCl magnesium monochloride mgcl  
643 MgCl- magnesium monochloride anion mgcl-  
644 MgCl+ magnesium monochloride cation mgcl+  
645 CaCl calcium monochloride cacl  
646 TiCl Titanium Monochloride ticl  
647 ZnF Zinc monofluoride znf  
648 ZnF- Zinc monofluoride anion znf-  
649 ZnF+ Zinc monofluoride cation znf+  
650 ZnCl Zinc monochloride zncl  
651 CaBr Calcium monobromide cabr  
652 BeCl- beryllium monochloride anion becl-  
653 BeCl+ beryllium monochloride cation becl+  
654 BF- Boron monofluoride anion bf-  
655 BF+ Boron monofluoride cation bf+  
656 AlF Aluminum monofluoride alf  
657 AlF- Aluminum monofluoride anion alf-  
658 AlF+ Aluminum monofluoride cation alf+  
659 BCl boron monochloride bcl  
660 BCl- boron monochloride anion bcl-  
661 BCl+ boron monochloride cation bcl+  
662 AlCl Aluminum monochloride alcl  
663 AlCl- aluminum monochloride anion alcl-  
664 AlCl+ aluminum monochloride cation alcl+  
665 ScF Scandium monofluoride scf  
666 BBr Boron monobromide bbr  
667 GaF Gallium monofluoride gaf  
668 GaF+ Gallium monofluoride cation gaf+  
669 AlBr Aluminum monobromide albr  
670 GaCl Gallium monochloride gacl  
671 GaCl+ Gallium monochloride cation gacl+  
672 AlI Aluminum monoiodide ali  
673 GaBr Gallium monobromide gabr  
674 CF Fluoromethylidyne cf  
675 CF+ carbon monofluoride cation cf+  
676 CCl carbon monochloride ccl  
677 CCl- carbon monochloride anion ccl-  
678 CCl+ carbon monochloride cation ccl+  
679 SiF silicon monofluoride sif  
680 SiF- silicon monofluoride anion sif-  
681 SiF+ silicon monofluoride cation sif+  
682 SiCl Clorosilylidyne sicl  
683 SiCl- silicon monochloride anion sicl-  
684 SiCl+ silicon monochloride cation sicl+  
685 CBr Carbon monobromide cbr  
686 GeF Germanium monofluoride gef  
687 GeF+ Germanium monofluoride cation gef+  
688 GeCl Germanium monochloride gecl  
689 GeCl+ Germanium monochloride cation gecl+  
690 SiBr Silicon monobromide sibr  
691 SiBr+ Silicon monobromide cation sibr+  
692 NF nitrogen fluoride nf  
693 NF- nitrogen monofluorine anion nf-  
694 NF+ nitrogen monofluoirde cation nf+  
695 NCl nitrogen monochloride ncl  
696 NCl- nitrogen monochloride anion ncl-  
697 NCl+ nitrogen monochloride cation ncl+  
698 PF phosphorus monofluoride pf  
699 PF- phosphorus monofluoride anion pf-  
700 PF+ phosphorus monofluoride cation pf+  
701 PCl phosphorus chloride pcl  
702 PCl- phosphorus monochloride anion pcl-  
703 PCl+ phosphorus monochloride cation pcl+  
704 AsF Arsenic monofluoride asf  
705 NBr nitrogen monobromide nbr  
706 AsCl Arsenic monochloride ascl  
707 PBr Phosphorus monobromide pbr  
708 SbF Antimony monofluoride sbf  
709 SbCl Antimony monochloride sbcl  
710 FO Oxygen monofluoride fo  
711 FO- flourine oxide anion fo-  
712 FO+ fluorine monoxide cation fo+  
713 ClO Monochlorine monoxide clo  
714 ClO- chlorine monoxide anion clo-  
715 ClO+ chlorine monoxide cation clo+  
716 SF Monosulfur monofluoride sf  
717 SF- sulfur monofluoride anion sf-  
718 SF+ sulfur monofluoride cation sf+  
719 SCl sulfur monochloride scl  
720 SCl- sulfur monochloride anion scl-  
721 SCl+ sulfur monochloride cation scl+  
722 BrO Bromine monoxide bro  
723 BrO- Bromine monoxide anion bro-  
724 BrO+ Bromine monoxide cation bro+  
725 SeF Selenium monofluoride sef  
726 SBr Sulfur monobromide radical sbr  
727 SBr+ Sulfur monobromide cation sbr+  
728 SeCl Selenium monochloride secl  
729 IO Iodine monoxide io  
730 SeBr Selenium monobromide sebr  
731 BrCl Bromine monochloride brcl  
732 F2- flourine diatomic anion f2-  
733 F2+ flourine diatomic cation f2+  
734 ClF Chlorine monofluoride clf  
735 ClF- clorine monofluoride anion clf-  
736 ClF+ clorine monofluoride cation clf+  
737 Cl2- chlorine diatomic anion cl2-  
738 Cl2+ chlorine diatomic cation cl2+  
739 BrF Bromine monofluoride brf  
740 BrF- bromine fluoride anion brf-  
741 BrF+ bromine fluoride cation brf+  
742 BrCl- bromine chloride anion brcl-  
743 BrCl+ bromine chloride cation brcl+  
744 IF Iodine monofluoride if  
745 Br2 Bromine diatomic br2  
746 Br2- bromine diatomic anion br2-  
747 Br2+ bromine diatomic cation br2+  
748 ICl Iodine monochloride icl  
749 IBr Iodine monobromide ibr  
750 I2 Iodine diatomic i2  
751 I2+ Iodine diatomic cation i2+  
752 HCF Fluoromethylene hcf  
753 HCCl Chloromethylene hccl  
754 HSiF fluorosilylene hsif  
755 HSiCl Chlorosilylene hsicl  
756 HSiBr monobromosilylene hsibr  
757 CHBr bromomethylene chbr  
758 HOF Hypofluorous acid hfo  
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 CH3F Methyl fluoride ch3f  
782 CD3Cl methyl chloride d3 cd3cl  
783 CH3Cl Methyl chloride ch3cl  
784 CH3Cl+ Methyl chloride cation ch3cl+  
785 SiH3F monofluorosilane sih3f  
786 SiH3Cl chlorosilane sih3cl  
787 CH3Br methyl bromide ch3br  
788 GeH3F monofluorogermane geh3f  
789 GeH3Cl monochlorogermane geh3cl  
790 SiH3Br bromosilane sih3br  
791 CH3I methyl iodide ch3i  
792 SiH3I Silyl Iodide sih3i  
793 NH3Cl+ protonated monochloroammonia nh3cl+  
794 CH3ClH+ methyl chloride, protonated ch3clh+  
795 NH4Cl Ammonium chloride nh4cl  
796 LiNe+ Lithium Neon cation line+  
797 Ne2 Neon diatomic ne2  
798 Ne2+ Neon diatomic cation ne2+  
799 Ar2 Argon diatomic ar2  
800 Ar2+ Argon diatomic cation ar2+  
801 Li3 Lithium trimer li3  
802 Li3+ Lithium trimer cation li3+  
803 C3 carbon trimer c3  
804 C3+ carbon trimer cation c3+  
805 SiC2 Silicon dicarbide sic2  
806 C3H3 cyclopropenyl radical cpr  
807 C3H3 Propargyl radical propargyl  
808 C3H3- Propargyl anion c3h3-  
809 C3H3+ cyclopropenyl cation cpr+  
810 C3H3+ Propargyl cation c3h3+  
811 C3H4 cyclopropene cprop  
812 CH2CCH2 allene allene  
813 CH3CCH propyne propyne  
814 C3H5+ Allyl cation allyl+  
815 CH3CHCH 1-propenyl radical ch3chch  
816 Zn(CH3)2 dimethyl zinc dmz  
817 C3H7 n-Propyl radical npropyl  
818 C3H7+ cyclopropane, protonated c3h7+  
819 CH3CHCH3 Isopropyl radical isopropyl  
820 CH3CHCH3+ Isopropyl cation prop2yl+  
821 C3H8 Propane propane  
822 SiH2(CH3)2 dimethylsilane dms  
823 Si3H8 trisilane si3h8  
824 LiCN lithium cyanide licn  
825 NaCN Sodium Cyanide nacn  
826 KCN Potassium cyanide kcn  
827 CuCN Copper cyanide cucn  
828 ZnCN Zinc monocyanide zncn  
829 ZnNC Zinc isocyanide znnc  
830 AlCN Aluminum monocyanide alcn  
831 AlNC Aluminum isocyanide alnc  
832 CN2 3H-Diazirin-3-ylidene cn2  
833 CNN Diazocarbene cnn  
834 NCN Cyanoimidogen ncn  
835 N3 azide radical n3  
836 N3- azide anion n3-  
837 N3+ azide cation n3+  
838 HCCN cyanomethylene hccn  
839 HCNN diazomethyl radical hcnn  
840 HN3+ Hydrazoic acid cation hn3+  
841 HNCNH diiminomethane hncnh  
842 CH2N2 diazirine ch2n2  
843 CH2NN diazomethane ch2nn  
844 NH2CN cyanamide cyanamide  
845 HNNNH+ 1,2-Triazadienium n2h3+  
846 NH2NN+ hydrazoic acid, protonated nh2nn+  
847 CH3CN Acetonitrile ch3cn  
848 CH3CN- acetonitrile anion ch3cn-  
849 CH3CN+ Acetonitrile cation ch3cn+  
850 CH3NC methyl isocyanide ch3nc  
851 CHNCH2 2H-Azirine c157164  
852 CHNHCH 1H-Azirine chnhch  
853 H2CCNH Ethenimine ch2cnh  
854 H2CNCH methyleneaminomethylene ch2nch  
855 HCCNH2 Ethynamine hccnh2  
856 HCNCH2+ 2H-Azirine cation hcnch2+  
857 HNCNH2+ diiminomethane, protonated hncnh2+  
858 NCNH3+ Cyanamide, protonated ncnh3+  
859 NH2CNH+ cyanamide, cn protonated nh2cnh+  
860 NH3CN+ cyanamide, amine protonated nh3cn+  
861 CH2CHNH vinylazine ch2chnh  
862 CH3CHN methylmethaniminyl radical ch3chn  
863 C2H5N Aziridine c2h5n  
864 CH2CHNH2 aminoethene aminoethene  
865 CH2NCH3 N-methylmethanimine nmm  
866 CH3CHNH ethanimine ethanimine  
867 NH2BHNH2 diaminoborane nh2bhnh2  
868 C2H5NH+ Protonated Aziridine c2h5nh+  
869 C2H6N+ aziridine, protonated c2h6n+  
870 NH2CH2NH2 diaminomethane nh2ch2nh2  
871 CH3CH2NH2 Ethylamine etam  
872 CH3NHCH3 Dimethylamine ch3nhch3  
873 CH3PHCH3 dimethylphosphine ch3phch3  
874 NH2CH2NH3+ diaminoethane, protonated pdam  
875 (CH3)2NH2+ dimethylammonium cation dmam  
876 CH3CH2NH3+ ethylamine, protonated pea  
877 Li2O+ dilithium oxide cation li2o+  
878 Li2S dilithium sulfide li2s  
879 Na2O disodium monoxide na2o  
880 Na2S Sodium sulfide na2s  
881 LiO2 Lithium dioxide lio2  
882 NaO2 Sodium superoxide nao2  
883 CCO Dicarbon monoxide cco  
884 CNO- fulminate cno-  
885 NCO isocyanato radical nco  
886 NCO- cyanate nco-  
887 SCN thiocyanato radical scn  
888 SCN- thiocyanide anion scn-  
889 BO2 Boron dioxide bo2  
890 BO2- Boron dioxide anion bo2-  
891 BO2+ Boron dioxide cation bo2+  
892 N2O Nitrous oxide n2o  
893 N2O- Nitrous oxide anion n2o-  
894 N2O+ Nitrous oxide cation n2o+  
895 NNS Nitrogen sulfide nns  
896 PPO Phosphorus oxide phosphide ppo  
897 CO2- Carbon dioxide anion co2-  
898 CO2+ Carbon dioxide cation co2+  
899 OCS Carbonyl sulfide cos  
900 OCS+ Carbonyl sulfide cation cos+  
901 SiO2 silicon dioxide sio2  
902 CS2 Carbon disulfide cs2  
903 CS2- Carbon disulfide anion cs2-  
904 CS2+ Carbon disulfide cation cs2+  
905 TiO2 Titanium dioxide tio2  
906 SiS2 Silicon disulfide sis2  
907 GeO2 Germanium dioxide geo2  
908 OCSe Carbonyl selenide ocse  
909 SCSe Carbon sulfide selenide scse  
910 GeS2 Germanium disulfide ges2  
911 CSe2 Carbon diselenide cse2  
912 SCTe Carbon sulfide Telluride scte  
913 NO2 Nitrogen dioxide no2  
914 NO2- Nitrogen dioxide anion no2-  
915 NO2+ Nitrogen dioxide cation no2+  
916 NSO sulfinyl amidogen NSO  
917 PO2 Phosphorus dioxide po2  
918 PO2- Phosphorus dioxide anion po2-  
919 PO2+ Phosphorus dioxide cation po2+  
920 SNO Nitrogen oxide sulfide sno  
921 AsO2 Aresenic dioxide aso2  
922 O3 Ozone o3  
923 O3- Ozone anion o3-  
924 O3+ Ozone cation o3+  
925 SO2- Sulfur dioxide anion so2-  
926 SO2+ Sulfur dioxide cation so2+  
927 SSO Disulfur monoxide sso  
928 S3 Sulfur trimer s3  
929 S3- Sulfur trimer anion s3-  
930 S3+ Sulfur trimer cation s3+  
931 SeO2 Selenium dioxide seo2  
932 SeO2+ Selenium dioxide cation seo2+  
933 TeO2 Tellurium Dioxide teo2  
934 HCCO ketenyl radical ketenyl  
935 CS2H+ Carbon disulfide, protonated cs2h+  
936 HCNO fulminic acid hcno  
937 HNCO Isocyanic acid hnco  
938 HOCN cyanic acid hocn  
939 HNCS Isothiocyanic acid hncs  
940 HSCN thiocyanic acid hscn  
941 HCO2- formate anion hco2-  
942 HNNO nitrosoazane hnno  
943 HNNO+ Nitrous oxide, N-protonated hnno+  
944 NNOH+ Nitrous Oxide, O-protonated nnoh+  
945 HCOO formate neutral radical hcoo  
946 HOCO Hydrocarboxyl radical hoco  
947 HOCO+ Hydrocarboxyl cation hoco+  
948 HNO2 Nitrous acid hno2  
949 HNO2+ nitrous acid cation hno2+  
950 O3H+ protonated ozone o3h+  
951 SO2H+ protonated sulfur dioxide so2h+  
952 C2H2O Oxirene oxirene  
953 CH2CO Ketene ch2co  
954 CH2CO+ Ketene cation ch2co+  
955 HCCOH ethynol hccoh  
956 CH2CS Thioketene ch2cs  
957 Be(OH)2 Beryllium hydroxide beo2h2  
958 Mg(OH)2 Magnesium dihydroxide h2mgo2  
959 NH2NO Nitrosamide nh2no  
960 CH2O2 Dioxirane diox  
961 H2COO Dioxymethyl radical h2coo  
962 H2COO+ dioxymethyl cation h2coo+  
963 HCOOH Formic acid ch2o2  
964 H2O3 Hydrogen trioxide h2o3  
965 HSSSH trisulfane hsssh  
966 NaOCH3 Sodium methoxide naoch3  
967 CH2BOH hydroxy(methylene)borane ch2boh  
968 BH3CO Borane carbonyl bh3co  
969 CH3BO Borane, methyloxo- ch3bo  
970 CH2CHO Vinyloxy radical ch2cho  
971 CH2COH+ ketene, protonated ch2coh+  
972 CH3CO Acetyl radical ch3co  
973 CH3CO- Acetyl anion ch3co-  
974 CH3CO+ acetyl cation ch3co+  
975 CH2NOH formaldoxime ch2noh  
976 CH3NO nitrosomethane ch3no  
977 CHONH2 formamide formamide  
978 CNOH3 1,2-oxaziridine cnoh3  
979 HOCHNH hydroxymethylimine hochnh  
980 CHSNH2 thioformamide chsnh2  
981 NHCHSH Methanimidothioic acid nhchsh  
982 CH2OOH CH2OOH radical ch2ooh  
983 CH3OO methylperoxy radical ch3oo  
984 CH3OO- methylperoxy anion ch3oo-  
985 CH3OO+ methylperoxy cation ch3oo+  
986 C2H4O Ethylene oxide c2h4o  
987 C2H4O+ ethylene oxide cation c2h4o+  
988 CH2CHOH ethenol ch2choh  
989 CH3CHO Acetaldehyde ch3cho  
990 CH3CHO+ acetaldehyde cation ch3cho+  
991 H2COCH2+ Methyl, (methyleneoxoniumyl)- h2coch2+  
992 C2H4S Thiirane thiirane  
993 CH2CHSH Ethenethiol ch2chsh  
994 CH3CHS Thioacetaldehyde ch3chs  
995 H2CONH2+ protonated formamide h2conh2+  
996 NH2CHOH+ Formamide, O-protonated nh2choh+  
997 NH3CHO+ Formamide, N-Protonated nh3cho+  
998 CH2(OH)2 methanediol ch2o2h2  
999 CH3OOH Methyl peroxide ch3ooh  
1000 CH3SSH Hydrogen methyl disulfide ch3ssh  
1001 HSCH2SH Methanedithiol ch4s2  
1002 H2OH2CO water formaldehyde dimer h2oh2co  
1003 C2H4OH+ ethylene oxide, protonated c2h4oh+  
1004 CH2CH2OH 2-hydroxy ethyl radical ch2ch2oh  
1005 CH3CH2O Ethoxy radical ethoxy  
1006 CH3CHOH 1-hydroxy-ethyl radical ch3choh  
1007 CH3CHOH+ acetaldehyde, protonated ch3choh+  
1008 CH3OCH2 methoxymethyl radical ch3och2  
1009 NH2CH2OH aminomethanol nh2ch2oh  
1010 CH3CH2OH Ethanol etoh  
1011 CH3OCH3 Dimethyl ether meome  
1012 CH3CH2SH ethanethiol etsh  
1013 CH3SCH3 Dimethyl sulfide mesme  
1014 CH3SCH3+ dimethyl sulfide cation mesme+  
1015 CH3SeCH3 dimethylselenide dmse  
1016 CH3OHH2O methanol water dimer ch3ohh2o  
1017 H2OCH3OH water methanol dimer h2och3oh  
1018 CuF2 Copper difluoride cuf2  
1019 ZnF2 Zinc difluoride znf2  
1020 CNF iso cyanogen fluoride cnf  
1021 FCN Cyanogen fluoride fcn  
1022 ClCN chlorocyanogen clcn  
1023 BrCN Cyanogen bromide brcn  
1024 ICN Cyanogen iodide icn  
1025 FBO Boron monofluoride monoxide fbo  
1026 BeF2 Beryllium fluoride bef2  
1027 MgF2 Magnesium fluoride mgf2  
1028 BeCl2 Beryllium chloride becl2  
1029 MgCl2 Magnesium dichloride mgcl2  
1030 CaCl2 Calcium Chloride cacl2  
1031 ZnCl2 Zinc dichloride zncl2  
1032 BeBr2 Beryllium bromide bebr2  
1033 CaBr2 Calcium dibromide cabr2  
1034 CaF2 Calcium difluoride caf2  
1035 FCO Carbonyl fluoride fco  
1036 FCO+ Carbonyl fluoride cation fco+  
1037 ClCO carbonyl monochloride clco  
1038 BF2 Boron difluoride radical bf2  
1039 FNO Nitrosyl fluoride fno  
1040 ClNO Nitrosyl chloride clno  
1041 FNS Thionitrosyl fluoride fns  
1042 FSN Thiazyl fluoride fsn  
1043 OPCl Phosphorus oxychloride opcl  
1044 BrNO Nitrosyl bromide brno  
1045 INO Nitrosyl iodide ino  
1046 CF2 Difluoromethylene cf2  
1047 CF2- Difluoromethylene anion cf2-  
1048 CF2+ Difluoromethylene cation cf2+  
1049 CFCl chlorofluoromethylene cfcl  
1050 SiF2 Silicon difluoride sif2  
1051 SiF2+ Silicon difluoride cation sif2+  
1052 CCl2 dichloromethylene ccl2  
1053 CCl2- dichloromethylene anion ccl2-  
1054 CCl2+ dichloromethylene cation ccl2+  
1055 SiCl2 Dichlorosilylene sicl2  
1056 GeF2 Germanium difluoride gef2  
1057 GeCl2 Germanium dichloride gecl2  
1058 CBr2 dibromomethylene cbr2  
1059 FOO Dioxygen monofluoride radical foo  
1060 FOO+ Fluorine dioxide cation foo+  
1061 ClOO chloroperoxy radical cloo  
1062 ClOO+ chloroperoxy cation cloo+  
1063 OClO Chlorine dioxide oclo  
1064 OClO- Chlorine dioxide anion oclo-  
1065 OClO+ Chlorine dioxide cation oclo+  
1066 ClSO Sulfur chloride oxide clso  
1067 ClS2 Sulfur chloride cls2  
1068 BrOO Bromine dioxide broo  
1069 OBrO Bromine dioxide radical obro  
1070 NF2 Difluoroamino radical nf2  
1071 NF2+ Difluoroamino cation nf2+  
1072 PF2 Phosphorus difluoride pf2  
1073 PF2+ Phosphorus difluoride cation pf2+  
1074 FClO chlorosyl fluoride fclo  
1075 F2O Difluorine monoxide f2o  
1076 ClOF Chlorine hypofluorite clof  
1077 SF2 sulfur difluoride sf2  
1078 SF2- sulfur difluoride anion sf2-  
1079 SF2+ sulfur difluoride cation sf2+  
1080 Cl2O Dichlorine monoxide cl2o  
1081 SCl2 Sulfur dichloride scl2  
1082 SeF2 Selenium difluoride sef2  
1083 BrOCl Bromine hypochlorite brocl  
1084 SeCl2 Selenium Dichloride secl2  
1085 SBr2 Sulfur dibromide sbr2  
1086 SeBr2 Selenium dibromide sebr2  
1087 BrOBr Bromine oxide brobr  
1088 F3- trifluoride anion f3-  
1089 Cl3- trichloride anion cl3-  
1090 Br3- tribromide anion br3-  
1091 I3- triiodide i3-  
1092 SFCl Sulfur chloride fluoride sfcl  
1093 HCCF+ fluoroacetylene cation hccf+  
1094 HCCCl Chloroacetylene hcccl  
1095 HCCBr bromoacetylene hccbr  
1096 HFCO formyl fluoride hfco  
1097 HFCO+ formyl fluoride cation hfco+  
1098 COHCl Formyl chloride cohcl  
1099 COHBr Formyl bromide cohbr  
1100 BHF2 Difluoroborane bhf2  
1101 BHCl2 Borane, dichloro- bhcl2  
1102 CHCl2 dichloromethyl radical chcl2  
1103 CHF2 difluoromethyl radical chf2  
1104 CHF2+ difluoromethyl cation chf2+  
1105 CHFCl Chlorofluoromethyl radical chfcl  
1106 CHFCl+ Chlorofluoromethyl cation chfcl+  
1107 CHCl2+ dichloromethyl cation chcl2+  
1108 CHBr2 dibromomethyl radical chbr2  
1109 HOClO Chlorous acid hoclo  
1110 NHF2 difluoramine nhf2  
1111 NHCl2 dichloroamine nhcl2  
1112 CH2F2 Methane, difluoro- ch2f2  
1113 CH2FCl fluorochloromethane ch2fcl  
1114 SiH2F2 difluorosilane sih2f2  
1115 CH2Cl2 Methylene chloride ch2cl2  
1116 CH2BrF Methane, bromofluoro- ch2fbr  
1117 CH2BrCl Methane, bromochloro- ch2clbr  
1118 CH2FI fluoroiodomethane ch2fi  
1119 CH2Br2 dibromomethane ch2br2  
1120 CH2ClI chloroiodomethane ch2cli  
1121 CH2BrI bromoiodomethane ch2bri  
1122 CH2I2 Diiodomethane ch2i2  
1123 SiH2Cl2 dichlorosilane sih2cl2  
1124 CH3MgBr Methyl Magnesium Bromide ch3mgbr  
1125 CH2CHF Ethene, fluoro- ch2chf  
1126 CH2CHF+ fluoroethene cation ch2chf+  
1127 C2H3Cl Ethene, chloro- ch2chcl  
1128 C2H3Br vinyl bromide c2h3br  
1129 C2H3I Vinyl iodide c2h3i  
1130 CH2FOH fluoromethanol ch2foh  
1131 CH3OCl methyl hypochlorite ch3ocl  
1132 CH2CH2Cl 2-chloroethyl radical ch2ch2cl  
1133 CHClCH3 1-chloroethyl radical chclch3  
1134 C2H5F fluoroethane c2h5f  
1135 CH3CH2Cl Ethyl chloride c2h5cl  
1136 CH3SiFH2 fluoromethylsilane ch3sifh2  
1137 C2H5Br Ethyl bromide etbr  
1138 C2H5I Ethyl iodide c2h5i  
1139 KrF2 Krypton difluoride krf2  
1140 XeF2 Xenon difluoride xef2  
1141 B4H10 Tetraborane(10) b4h10  
1142 C4+ Carbon tetramer cation c4+  
1143 C4H2 Diacetylene c4h2  
1144 C4H2+ diacetlyene cation c4h2+  
1145 C2H3CCH 1-Buten-3-yne c2h3cch  
1146 C4H4 cyclobutadiene cbd  
1147 C4H4 Tetrahedrane c4h4  
1148 H2CCCCH2 Butatriene h2cccch2  
1149 C4H6 1-Methylcyclopropene c3100047  
1150 C4H6 Cyclobutene c822355  
1151 C4H6 Methylenecyclopropane c6142730  
1152 CH2CCHCH3 1,2-Butadiene butad12  
1153 CH2CHCHCH2 1,3-Butadiene c106990  
1154 CH3CCCH3 2-Butyne c503173  
1155 CHCCH2CH3 1-Butyne c107006  
1156 CH3CHCHCH2 methylallyl radical c4h7  
1157 C4H8 methylcyclopropane mcp  
1158 CH2C(CH3)CH3 1-Propene, 2-methyl- isobute  
1159 CH2CHCH2CH3 1-Butene bute1  
1160 CH3CHCHCH3 2-Butene, (E)- bute2e  
1161 CH3CHCHCH3 2-Butene, (Z)- bute2z  
1162 B(CH3)3 trimethylborane bme3  
1163 Al(CH3)3 trimethyl aluminum tma  
1164 C(CH3)3 Tert-butyl radical tbutyl  
1165 CH2CH(CH3)2 Isobutyl radical isobutyl  
1166 CH3CHCH2CH3 2-Butyl radical butyl2  
1167 CH3CH(CH3)CH3 Isobutane isobutane  
1168 CH3CH2CH2CH3 Butane butane  
1169 SiH(CH3)3 trimethylsilane trimsi  
1170 Li3N trilithium nitride li3n  
1171 C2N2 Cyanogen c2n2  
1172 C2N2+ Cyanogen cation c2n2+  
1173 P4 Phosphorus tetramer p4  
1174 As4 Arsenic tetramer as4  
1175 HCCCN Cyanoacetylene hcccn  
1176 HCCCN+ Cyanoacetylene cation hcccn+  
1177 H2CNCN cyanamide, methylene ch2ncn  
1178 HNCCNH Ethenediimine hnccnh  
1179 C3H3N acrylonitrile ch2chcn  
1180 C3H3N+ acrylonitrile cation ch2chcn+  
1181 CH3N3 methyl azide ch3n3  
1182 NH2CCNH2 Diaminoacetylene daa  
1183 NH2CH2CN Aminoacetonitrile aan  
1184 CH3NHN2+ methyl azide, protonated ch3nhn2+  
1185 C2H5CN ethyl cyanide c2h5cn  
1186 CH5N3 Guanidine guanidine  
1187 C4H6 Bicyclo[1.1.0]butane c157335  
1188 CH3NNCH3 (Z)-1,2-Dimethyldiazene dmdiazz  
1189 H2NCHCHNH2 diaminoethylene dae  
1190 CH6N3+ guanidinium ch6n3+  
1191 C3H7N Cyclopropylamine cpram  
1192 CH7N3 triaminomethane tam  
1193 C3H7N Azetidine azet  
1194 C4H8 cyclobutane cbutane  
1195 C2H8N2 Ethylenediamine ethdiam  
1196 CH3NHNHCH3 dimethyl hydrazine dmh  
1197 CH3CH(NH2)CH3 2-Propanamine pram2  
1198 N(CH3)3 Trimethylamine trimeam  
1199 NH2CH2CH2CH3 1-Propanamine pram1  
1200 P(CH3)3 trimethylphosphine tmp  
1201 N(SiH3)3 trisilylamine tsa  
1202 As(CH3)3 trimethyl arsine tmas  
1203 (CH3)3NH+ protonated trimethyl amine ptma  
1204 C3H7NH3+ n-propylamine, protonated c3h7nh2  
1205 Li2O2 dilithium dioxide li2o2  
1206 Na2O2 disodium dioxide na2o2  
1207 K2O2 dipotassium dioxide k2o2  
1208 C3O Tricarbon monoxide c3o  
1209 B2O2 Diboron dioxide b2o2  
1210 ONNO NO dimer onno  
1211 S2N2 Disulfur dinitride s2n2  
1212 CO3 Carbon trioxide co3  
1213 CO3-- carbonate co3--  
1214 CS3-- Carbonotrithioate cs3--  
1215 NO3 Nitrogen trioxide no3  
1216 NO3- nitrate anion no3-  
1217 NO3+ nitrogen trioxide cation no3+  
1218 SO3 Sulfur trioxide so3  
1219 SO3- Sulfur trioxide anion so3-  
1220 SO3-- Sulfate dianion so3--  
1221 SO3+ Sulfur trioxide cation so3+  
1222 SeO3 selenium trioxide seo3  
1223 S4 Sulfur tetramer s4  
1224 TeO3 Tellurium trioxide teo3  
1225 HCO3- bicarbonate anion hco3-  
1226 HNO3 Nitric acid hno3  
1227 HSO3 Hydroxysulfonyl radical hso3  
1228 NH2NO2 nitramide nh2no2  
1229 C2H2CO cyclopropenone c2h2co  
1230 C3H2O Propadienal c3h2o  
1231 HCCCHO 2-propynal hcccho  
1232 C2H2O2 Ethanedial c2h2o2  
1233 C2H2O2+ Ethanedial cation c2h2o2+  
1234 H2CO3 Carbonic acid h2co3  
1235 H2CS3 thiocarbonic acid h2cs3  
1236 H2NO3+ Nitric Acid, Protonated h2no3+  
1237 H2SO3 Sulfurous acid h2so3  
1238 C2H3NO Nitrosoethylene c2h3no  
1239 CH3NCO methylisocyante ch3nco  
1240 HOCH2CN cyanomethanol hoch2cn  
1241 CH3COO- acetate anion ch3coo-  
1242 CH3NO2 Methane, nitro- ch3no2  
1243 CH3ONO Methyl nitrite ch3ono  
1244 NH2COOH Carbamic acid nh2cooh  
1245 H3BO3 Boric acid h3bo3  
1246 H3AlO3 Aluminum hydroxide h3alo3  
1247 H3CO3+ carbonic acid, protonated h3co3+  
1248 C3H4O 2-Propyn-1-ol c107197  
1249 C3H4O Cyclopropanone cpone  
1250 C3H4O Methylketene c6004440  
1251 CH2CHCHO Acrolein c3h4o  
1252 NH2CONH2+ Urea cation urea+  
1253 NH2CSNH2 Thiourea thiourea  
1254 C2H4O2 1,3-dioxetane c2h4o2  
1255 CH3COOH Acetic acid ch3cooh  
1256 CH3OCHO methyl formate ch3ocho  
1257 CHOCH2OH hydroxy acetaldehyde haa  
1258 NH2COOH2+ Carbamic acid, O-protonated nh2cooh2+  
1259 NH3COOH+ protonated Carbamic acid nh3cooh+  
1260 H2OHCOOH Water formic acid dimer 1 h2ohcooh_10  
1261 H2OHCOOH Water formic acid dimer 2 h2ohcooh_11  
1262 HCOOHH2O Formic acid water dimer hcoohh2o  
1263 HOCH2OOH hydroxy methyl peroxide hoch2ooh  
1264 CH3COCH2 Acetonyl radical ch3coch2  
1265 CH2C(OH)NH2 1-amino vinyl alchohol ava  
1266 CH3C(OH)=NH Ethaninidic acid eia  
1267 CH3CHNOH Acetaldoxime acetaldoxime  
1268 CH3CONH2 Acetamide acetamide  
1269 HCONHCH3 N-methylformamide nmfa  
1270 CH3CSNH2 Ethanethioamide ch3csnh2  
1271 CH5N2O+ urea, N-protonated ch4n2o+  
1272 H2NCOHNH2+ urea, protonated ureah+  
1273 C2H5OO ethylperoxy radical c2h5oo  
1274 CH3NNCH3 (E)-1,2-Dimethyldiazene dmdiaze  
1275 C3H5OH Cyclopropanol cproh  
1276 C3H6O 2-Propen-1-ol c107186  
1277 C3H6O Acetone enol enol  
1278 C3H6O Oxetane oxetane  
1279 C3H6O Propylene oxide prox  
1280 CH3CH2CHO Propanal propanal  
1281 CH3COCH3 Acetone acetone  
1282 CH3COCH3- acetone anion ch3coch3-  
1283 C3H6S Thietane thietane  
1284 C3H6S Thiirane, methyl- methiirane  
1285 CH3CSCH3 Thioacetone ch3csch3  
1286 C2H6O2 1,2-Ethanediol ethdiol  
1287 CH3OOCH3 dimethylperoxide dmp  
1288 CH3SOCH3 Dimethyl sulfoxide dmso  
1289 CH2SHCH2SH 1,2-Ethanedithiol ethdisl  
1290 CH3SSCH3 Disulfide, dimethyl ch3ssch3  
1291 CH3COHCH3+ acetone, protonated acetoneh+  
1292 HOCH2CH2NH2 monoethanolamine mea  
1293 C3H7OH 1-Propanol proh  
1294 CH3CHOHCH3 Isopropyl alcohol isoproh  
1295 CH3OC2H5 Ethane, methoxy- etome  
1296 C3H7SH 1-Propanethiol prsh  
1297 CH3CHSHCH3 2-Propanethiol isoprsh  
1298 CH3SCH2CH3 Ethane, (methylthio)- etsme  
1299 H2OCH3OCH3 water dimethylether dimer h2och3och3  
1300 Li2F2 Lithium fluoride dimer li2f2  
1301 Na2F2 Sodium Fluoride Dimer na2f2  
1302 Na2Cl2 Disodium dichloride na2cl2  
1303 C2F2 difluoroacetylene c2f2  
1304 C2Cl2 dichloroacetylene c2cl2  
1305 C2Cl2+ dichloroacetylene cation c2cl2+  
1306 FNO2 Nitryl fluoride fno2  
1307 FONO Nitrosyl hypofluorite fono  
1308 ClNO2 Nitryl chloride clno2  
1309 ClONO chlorine nitrite clono  
1310 BrONO Bromine nitrite brono  
1311 N2F2 (Z)-Difluorodiazene n2f2_z  
1312 N2F2 Dinitrogen difluoride, (E)- n2f2_e  
1313 CF2O Carbonic difluoride f2co  
1314 CF2O+ Carbonic difluoride cation f2co+  
1315 COFCl Carbonic chloride fluoride cofcl  
1316 CCl2O Phosgene cl2co  
1317 Cl2CS Thiophosgene cl2cs  
1318 COBr2 Carbonic dibromide cobr2  
1319 BF3- Borane, trifluoro- anion bf3-  
1320 BF3+ boron trifluoride cation bf3+  
1321 BClF2 Chlorodifluoroborane bclf2  
1322 AlF2Cl Aluminum chloride difluoride alclf2  
1323 ScF3 Scandium trifluoride ScF3  
1324 AlFCl2 Aluminum dichloride fluoride alcl2f  
1325 BCl3 Borane, trichloro- bcl3  
1326 BCl3+ Boron Trichloride cation bcl3+  
1327 GaF3 Gallium trifluoride gaf3  
1328 AlCl3 Aluminum trichloride alcl3  
1329 GaCl3 Gallium trichloride gacl3  
1330 BBr3 Boron tribromide bbr3  
1331 AlBr3 Aluminum Bromide albr3  
1332 ClO3 Chlorine trioxide clo3  
1333 ClO3- chlorate anion clo3-  
1334 BrO3- Bromate anion bro3-  
1335 CF3 Trifluoromethyl radical cf3  
1336 CF3- Trifluoromethyl anion cf3-  
1337 CF3+ Trifluoromethyl cation cf3+  
1338 CF2Cl difluorochloromethyl radical cf2cl  
1339 SiF3 Silicon trifluoride radical sif3  
1340 SiF3+ Silicon trifluoride cation sif3+  
1341 CFCl2 dichlorofluoromethyl radical cfcl2  
1342 CCl3 Trichloromethyl radical ccl3  
1343 CCl3- Trichloromethyl anion ccl3-  
1344 CCl3+ Trichloromethyl cation ccl3+  
1345 SiCl3 trichlorosilyl radical sicl3  
1346 SiCl3+ trichlorosilyl cation sicl3+  
1347 CBr3 tribromomethyl radical cbr3  
1348 FOOF Perfluoroperoxide foof  
1349 ClO2F Chloryl fluoride clo2f  
1350 F2SO Thionyl Fluoride f2so  
1351 ClOOCl Dichlorine dioxide cloocl  
1352 FSSF Difluorodisulfane fssf  
1353 S2F2 Thio-thionyl fluoride s2f2  
1354 SSCl2 Thiothionyl chloride sscl2  
1355 SeOCl2 selenium oxychloride seocl2  
1356 NF3 Nitrogen trifluoride nf3  
1357 NF3- Nitrogen trifluoride anion nf3-  
1358 NF3+ Nitrogen trifluoride cation nf3+  
1359 PF3 Phosphorus trifluoride pf3  
1360 NCl3 nitrogen trichloride ncl3  
1361 AsF3 Arsenic trifluoride asf3  
1362 PCl3 Phosphorus trichloride pcl3  
1363 SbF3 Antimony Trifluoride sbf3  
1364 AsCl3 Arsenous trichloride ascl3  
1365 SbCl3 Antimony Trichloride sbcl3  
1366 NBr3 Nitrogen Tribromide nbr3  
1367 PBr3 Phosphorus tribromide pbr3  
1368 AsBr3 Arsenic tribromide asbr3  
1369 PI3 Phosphorus triiodide pi3  
1370 ClSSCl Disulfur dichloride s2cl2  
1371 SF3 Sulfur trifluoride sf3  
1372 ClF3 Chlorine trifluoride clf3  
1373 BrF3 Bromine trifluoride brf3  
1374 IF3 iodone trifluoride if3  
1375 HClO3 Chloric Acid hclo3  
1376 CHF3 Methane, trifluoro- chf3  
1377 CHF2Cl difluorochloromethane chf2cl  
1378 SiHF3 trifluorosilane sihf3  
1379 CHFCl2 fluorodichloromethane chfcl2  
1380 CDCl3 trichloromethane-d cdcl3  
1381 CHCl3 Chloroform chcl3  
1382 CHBrF2 Methane, bromodifluoro- chbrf2  
1383 SiHCl3 Trichlorosilane sihcl3  
1384 CHFClBr fluorochlorobromomethane chfclbr  
1385 CHBrCl2 Methane, bromodichloro- chbrcl2  
1386 CHF2I difluoroiodomethane chf2i  
1387 CHBr2F dibromofluoromethane chbr2f  
1388 CHFClI fluorochloroiodomethane chfcli  
1389 CHCl2I dichloroiodomethane chcl2i  
1390 CHClBr2 Methane, dibromochloro- chclbr2  
1391 CHBr3 bromoform chbr3  
1392 CHI3 Iodoform chi3  
1393 NF3H+ protonated nitrogen trifluoride nf3h+  
1394 AsF3H+ Arsenic trifluoride, protonated asf3h+  
1395 C2H2F2 Ethene, 1,2-difluoro-, (E)- c2h2f2e  
1396 C2H2F2 Ethene, 1,2-difluoro-, (Z)- c2h2f2z  
1397 CH2CF2 Ethene, 1,1-difluoro- ch2cf2  
1398 C2H2ClF 1-chloro-1-fluoroethylene c2h2clf  
1399 CHFCHCl (E)-1-chloro-2-fluoroethene chfchcle  
1400 CHFCHClz (Z)-1-Chloro-2-fluoroethene chfchclz  
1401 CH2CCl2 Ethene, 1,1-dichloro- ch2ccl2  
1402 CHClCHCl Ethene, 1,2-dichloro-, (E)- chclchcle  
1403 CHClCHCl Ethene, 1,2-dichloro-, (Z)- chclchclz  
1404 C2H2Br2 1,1-dibromoethene c2h2br2  
1405 CHBrCHBr Ethene, 1,2-dibromo-, (E)- chbrchbre  
1406 CHBrCHBr Ethene, 1,2-dibromo-, (Z)- chbrchbrz  
1407 CH2FCHO Fluoroacetaldehyde ch2fcho  
1408 CH3COF Acetyl fluoride ch3cof  
1409 CH2ClCHO chloroacetaldehyde ch2clcho  
1410 CH3COCl Acetyl Chloride ch3cocl  
1411 C2H4F2 1,2-difluoroethane c2h4f2  
1412 CH3CHF2 Ethane, 1,1-difluoro- ch3chf2  
1413 CH2FCH2Cl Ethane, 1-chloro-2-fluoro- ch2fch2cl  
1414 CH3CHFCl Ethane, 1-chloro-1-fluoro- ch3chfcl  
1415 CH2ClCH2Cl Ethane, 1,2-dichloro- ch2clch2cl  
1416 CH3CHCl2 Ethane, 1,1-dichloro- ch3chcl2  
1417 CH2BrCH2Cl 1-bromo-2-chloroethane ch2brch2cl  
1418 CH2BrCH2Br Ethane, 1,2-dibromo- ch2brch2br  
1419 CH2CFCH3 2-fluoropropene 2fpro  
1420 CH2CHCH2F Allyl Fluoride allylf  
1421 CH3CHCHF trans-1-Fluoro-1-propene propene1ft  
1422 C3H5Cl 1-Propene, 3-chloro- prop1cl3  
1423 C3H5Cl 1-chloro-1-propene(E) prop1cl1e  
1424 C3H5Cl 1-chloro-1-propene(Z) prop1cl1z  
1425 CH2FCH2OH 2-fluoroethanol ch2fch2oh  
1426 CH2ClCH2OH 2-Chloroethanol ch2clch2oh  
1427 CH2ClCH2OH2+ 2-chloroethanol, protonated ch2clch2oh2+  
1428 CH2FCH2CH3 1-Fluoropropane prf1  
1429 CH3CHFCH3 2-Fluoropropane prf2  
1430 CH2ClCH2CH3 Propane, 1-chloro- prcl1  
1431 CH3CHClCH3 Propane, 2-chloro- prcl2  
1432 CH3CH2CH2Br n-propyl bromide prbr  
1433 CH3CHBrCH3 i-propyl bromide iprbr  
1434 C3H9O+ trimethyl oxonium cation c3h9o+  
1435 B5H9 pentaborane9 b5h9  
1436 C5H4 pentatetraene ptrene  
1437 C5H5 cyclopentadienyl radical c5h5  
1438 C5H5- cylopentadienyl anion c5h5-  
1439 C5H6 1,3-Cyclopentadiene c542927  
1440 C5H6 1-Buten-3-yne, 2-methyl- c78808  
1441 C5H6 3-Penten-1-yne, (E)- c2004695  
1442 C5H6 3-Penten-1-yne, (Z)- c1574409  
1443 C5H6 Bicyclo[2.1.0]pent-2-ene c5164352  
1444 C5H6 Cyclopropylacetylene c6746947  
1445 C5H6 Propellane propellane  
1446 C5H7 1,3-pentadienyl radical pdyl  
1447 C5H7 cyclopentenyl radical cpyl  
1448 C5H8 1,2-Butadiene, 3-methyl- c598254  
1449 C5H8 1,2-Pentadiene c591957  
1450 C5H8 1,3-Butadiene, 2-methyl- c78795  
1451 C5H8 1,3-Pentadiene, (E)- c2004708  
1452 C5H8 1,3-Pentadiene, (Z)- c1574410  
1453 C5H8 1,4-Pentadiene c591935  
1454 C5H8 1-pentyne a1pentyne  
1455 C5H8 2,3-Pentadiene c591968  
1456 C5H8 Bicyclo[1.1.1]pentane bcp  
1457 C5H8 Cyclobutane, methylene- c1120565  
1458 C5H8 Cyclopentene c142290  
1459 C5H8 Ethenylcyclopropane c693867  
1460 CH3CCCH2CH3 2-Pentyne 2pentyne  
1461 C5H10 1-Butene, 2-methyl- c563462  
1462 C5H10 2-Butene, 2-methyl- c513359  
1463 C5H10 2-Pentene, (E)- c646048  
1464 C5H10 2-Pentene, (Z)- c627203  
1465 C5H10 Cyclopentane c287923  
1466 C5H10 Cyclopropane, 1,1-dimethyl- c1630940  
1467 CH2CHCH2CH2CH3 1-pentene pentene  
1468 C5H11 2-Methylbut-2-yl radical c4348350  
1469 C5H12 Butane, 2-methyl- buta2  
1470 C5H12 Pentane pentane  
1471 C5H12 Propane, 2,2-dimethyl- neopentane  
1472 Si(CH3)4 tetramethylsilane tms  
1473 N2O3 Dinitrogen trioxide n2o3  
1474 C3H2N2 Malononitrile c3h2n2  
1475 CH2N4 1H-Tetrazole 1htz  
1476 C3H3N2 imidazolyl radical im  
1477 C3H3N2- imidizolyl anion im-  
1478 C2H3N3 1H-1,2,4-Triazole c288880  
1479 C4H4N pyrrolide radical c4h4n  
1480 C4H4N- pyrrolide anion c4h4n-  
1481 C3H4N2 1H-Imidazole 1himidaz  
1482 C3H4N2 1H-Pyrazole 1hpyraz  
1483 C3H4N2 2H-Imidazole imid2h  
1484 C3H4N2 4H-Imidazole imid4h  
1485 C4H5N (E)-2-Butenenitrile c627269  
1486 C4H5N (Z)-2-Butenenitrile c1190767  
1487 C4H5N 2H-pyrrole pyrrole2  
1488 C4H5N 3H-pyrrole pyrrole3  
1489 C4H5N Cyclopropanecarbonitrile c5500210  
1490 C4H5N Pyrrole pyrrole  
1491 CH2CHCH2CN Allylcyanide ch2chch2cn  
1492 C4H6N+ pyrrole, alpha-protonated appyr  
1493 C4H6N+ pyrrole, beta-protonated bppyr  
1494 C4H6N+ pyrrole, protonated ppyr  
1495 C3H6N2 3-Aminopropionitrile c151188  
1496 CH3CH(CH3)CN Propanenitrile, 2-methyl- c4h7n  
1497 CH3CH2CH2CN Butanenitrile c109740  
1498 C5H8 Bicyclo[2.1.0]pentane c185944  
1499 C5H8 Spiropentane c157404  
1500 C4H9N Cyclobutylamine cbam  
1501 C4H9N Pyrrolidine pyrrolidine  
1502 C3H10N2 1,2-Diaminopropane diampr12  
1503 C(CH3)3NH2 2-Propanamine, 2-methyl- c75649  
1504 C(NH2)H2C(CH3)HCH3 1-Propanamine, 2-methyl- c78819  
1505 C(NH2)H2CH2CH2CH3 1-Butanamine butam1  
1506 CH3C(NH2)HCH2CH3 2-Butanamine butam2  
1507 NH(C2H5)2 diethylamine dea  
1508 NC4H12+ tetramethyl ammonium cation nc4h12+  
1509 C3O2 Carbon suboxide c3o2  
1510 C3O2+ Carbon suboxide cation c3o2+  
1511 B2O3 diboron trioxide b2o3  
1512 MgCO3 Magnesium Carbonate mgco3  
1513 BeCO3 Beryllium Carbonate beco3  
1514 CaCO3 Calcium Carbonate caco3  
1515 ONONO Nitrosyl nitrite onono  
1516 PO4--- phosphate po4---  
1517 SO4-- sulfate so4--  
1518 HOONO2 peroxy nitric acid hoono2  
1519 HSO4- bisulfate anion hso4-  
1520 C2H2N2S 1,3,4-Thiadiazole c2h2n2s  
1521 C3H2O2 Propiolic acid c3h2o2  
1522 CHOCOOH oxo acetic acid oaa  
1523 CHOOCHO diformyl ether choocho  
1524 H2SO4 Sulfuric acid h2so4  
1525 H2SeO4 Selenic acid h2seo4  
1526 C3H3NO Isoxazole isox  
1527 C3H3NO Oxazole oxazole  
1528 C3H3NS Thiazole thiazole  
1529 CH3C(O)OO acetyl peroxy radical ch3coo2  
1530 CH3NO3 Methyl nitrate ch3no3  
1531 H3PO4 Phosphoric Acid h3po4  
1532 C4H4O Furan furan  
1533 C4H4O+ Furan cation furan+  
1534 CH3COCCH 3-butyn-2-one c1423605  
1535 C4H4S Thiophene furans  
1536 C4H4Se selenophene c4h4se  
1537 C3H4O2 β–Propiolactone beta  
1538 C3H4O2 2-Propenoic acid propenoic2  
1539 C3H4O2 Methyl glyoxal megly  
1540 C3H4O2 propanedial propanedial  
1541 C3H4O2 propenalol propenalol  
1542 HOCHCCHOH allenediol aldiol  
1543 C2H4O3 1,2,3-trioxolane c2h4o3  
1544 C2H4O3 trioxolane124 triox  
1545 HOCH2COOH Hydroxyacetic acid hac  
1546 CH2CHCONH2 Acrylamide c79061  
1547 CH3OCH2CN Methoxyacetonitrile c1738369  
1548 CH5N3S Hydrazinecarbothioamide c79196  
1549 H2NCH2COOH Glycine glycine  
1550 CH3SO2NH2 methanesulfonamide ch3so2nh2  
1551 C4H6O cis-2-butenal butenal2c  
1552 C4H6O Cyclobutanone cbutone  
1553 C4H6O Furan, 2,3-dihydro- furan23h  
1554 C4H6O Furan, 2,5-dihydro- furan25h  
1555 CH2CHOCHCH2 Vinyl ether vinylether  
1556 CHOCHCHCH3 2-Butenal butenal2  
1557 C4H6S Thiophene, 2,3-dihydro- thiop23h  
1558 C4H6S Thiophene, 2,5-dihydro- thiop25h  
1559 CH2CHSCHCH2 Divinyl sulfide divis  
1560 C2H6N2O Urea, methyl- c598505  
1561 C3H6O2 1,3-Dioxolane dioxolane  
1562 CH3CH2COOH Propanoic Acid propanoic  
1563 CH3COOCH3 methyl acetate aame  
1564 HCOOC2H5 Ethyl formate faee  
1565 C2H6O2S Dimethyl sulfone c67710  
1566 CH3SSSCH3 dimethyl trisulfide c2h6s3  
1567 C3H7NO dimethylformamide dmf  
1568 C3H7NO Propanamide propanam  
1569 C2H3OC2H5 Ethene, ethoxy- c109922  
1570 C4H8O Cyclobutanol c2919235  
1571 C4H8O Furan, tetrahydro- thf  
1572 CH2C(CH3)OCH3 1-Propene, 2-methoxy- pre1meo2  
1573 CH3COCH2CH3 2-Butanone buta2one  
1574 CHOCH(CH3)CH3 Propanal, 2-methyl- c78842  
1575 CHOCH2CH2CH3 Butanal butanal  
1576 C4H8S Thiophene, tetrahydro- tht  
1577 C3H8O2 1,3-Propanediol c504632  
1578 C3H8O2 Hydroperoxide, 1-methylethyl c3031752  
1579 C3H8O2 Methane, dimethoxy- c109875  
1580 C3H8O2 Propylene glycol c57556  
1581 C3H8S2 1,3-Propanedithiol c109808  
1582 C4H10O 1-Butanol butanol1  
1583 C4H10O 1-Propanol, 2-methyl- c78831  
1584 C4H10O 2-Butanol, (.+/-.)- butanol2  
1585 C4H10O Ethanol, 1,1-dimethyl- tbuoh  
1586 C4H10O Ethoxy ethane etoet  
1587 C4H10O Methyl propyl ether meopr  
1588 C4H10O Propane, 2-methoxy- c598538  
1589 C4H10O+ 1-Butanol cation butanol1+  
1590 C(CH3)3SH 2-Propanethiol, 2-methyl- tbush  
1591 C2H5SC2H5 Diethyl sulfide etset  
1592 C4H9SH 1-Butanethiol bush  
1593 CH2(SH)CH(CH3)CH3 1-Propanethiol, 2-methyl- c513440  
1594 CH3C(SCH3)HCH3 Propane, 2-(methylthio)- mesipr  
1595 CH3CH(SH)CH2CH3 2-Butanethiol butansl2  
1596 FNO3 Fluorine nitrate fno3  
1597 ClONO2 Chlorine nitrate clono2  
1598 BrONO2 Bromine nitrate brono2  
1599 ClO4- perchlorate anion clo4-  
1600 BF4- tetrafluoroboron anion bf4-  
1601 ClFO3 Perchloryl fluoride clfo3  
1602 SO2F2 Sulfuryl fluoride so2f2  
1603 SO2Cl2 Sulfuryl chloride so2cl2  
1604 F3NO Nitrogen trifluoride oxide f3no  
1605 F3PO Phosphoryl fluoride pf3o  
1606 Cl3PO Phosphoryl chloride pcl3o  
1607 CF4 Carbon tetrafluoride cf4  
1608 CF3Cl Methane, chlorotrifluoro- cf3cl  
1609 SiF4 Silicon tetrafluoride sif4  
1610 CF2Cl2 difluorodichloromethane cf2cl2  
1611 TiF4 Titanium tetrafluoride tif4  
1612 CFCl3 Trichloromonofluoromethane cfcl3  
1613 CF3Br Bromotrifluoromethane cf3br  
1614 GeF4 Germanium tetrafluoride gef4  
1615 CCl4 Carbon tetrachloride ccl4  
1616 CCl4+ Carbon tetrachloride cation ccl4+  
1617 CBrClF2 Methane, bromochlorodifluoro- cbrclf2  
1618 SiCl4 Silane, tetrachloro- sicl4  
1619 CBrCl2F bromodichlorofluoromethane cbrcl2f  
1620 CF3I trifluoroiodomethane cf3i  
1621 CBrCl3 Methane, bromotrichloro- cbrcl3  
1622 CBr2F2 Methane, dibromodifluoro- cbr2f2  
1623 GeCl4 Germanium Tetrachloride gecl4  
1624 CBr2ClF dibromochlorofluoromethane cbr2clf  
1625 CBr2Cl2 dibromodichloromethane cbr2cl2  
1626 CCl3I trichloroiodomethane ccl3i  
1627 CFBr3 fluorotribromomethane cfbr3  
1628 CFClBrI fluorochlorobromoiodomethane cfclbri  
1629 CBr3Cl tribromochloromethane cbr3cl  
1630 CF2I2 difluorodiiodomethane cf2i2  
1631 CBr4 Carbon tetrabromide cbr4  
1632 CCl2I2 dichlorodiiodomethane ccl2i2  
1633 SiBr4 Silicon tetrabromide sibr4  
1634 CBr3I tribromoiododmethane cbr3i  
1635 GeBr4 Germanium tetrabromide gebr4  
1636 CI4 tetraiodomethane ci4  
1637 SiI4 silicon tetraiodide sii4  
1638 ClOF3 Chlorine trifluoride oxide clof3  
1639 SeF4 Selenium tetrafluoride sef4  
1640 SCl4 Sulfur tetrachloride scl4  
1641 C2HF3 Trifluoroethylene c2hf3  
1642 C2HF3+ Trifluoroethylene cation c2hf3+  
1643 CHClCCl2 Trichloroethylene chclccl2  
1644 CHBrCF2 1-Bromo-2,2-difluoroethylene chbrcf2  
1645 HClO4 perchloric acid hclo4  
1646 HSO3F Fluorosulfonic acid hso3f  
1647 CF3OH trifluoromethanol cf3oh  
1648 CH2ClCCCl 1,3-dichloropropyne ch2clcccl  
1649 CHClCCHCl 1,3-dichloroallene chclcchcl  
1650 CHCl2CCH 3,3-dichloropropyne chcl2cch  
1651 CHCl2CHO dichloroacetaldehyde chcl2cho  
1652 PF3CH2 phosphorane, trifluoromethylene- pf3ch2  
1653 CH3CF3 Ethane, 1,1,1-trifluoro- ch3cf3  
1654 CHF2CH2F Ethane, 1,1,2-trifluoro ch2fchf2  
1655 CH3CF2Cl 1-Chloro-1,1-Difluoroethane ch3cf2cl  
1656 CH3CFCl2 1,1-Dichloro-1-fluoroethane ch3cfcl2  
1657 CH2ClCHCl2 1,1,2-trichloroethane ch2clchcl2  
1658 CH3CCl3 Ethane, 1,1,1-trichloro- ch3ccl3  
1659 SiCl3CH3 methyltrichlorosilane sicl3ch3  
1660 CH3CBr3 1,1,1-tribromoethane ch3cbr3  
1661 NH3BCl3 Amminetrichloroboron nh3bcl3  
1662 SiH3CCl3 (trichloromethyl)silane sih3ccl3  
1663 CH2CClCHCH2 1,3-Butadiene, 2-chloro- c4h5cl  
1664 C3H5ClO Oxirane, (chloromethyl)- c106898  
1665 CH2FCH2CH2F 1,3-difluoropropane ch2fch2ch2f  
1666 CH3CF2CH3 2,2-difluoropropane ch3cf2ch3  
1667 CH2ClCH2CH2Cl 1,3-dichloropropane prdicl13  
1668 CH2ClCHClCH3 Propane, 1,2-dichloro- prdicl12  
1669 CH3CCl2CH3 Propane, 2,2-dichloro- prdicl22  
1670 CHCl2CH2CH3 1,1-dichloropropane prdicl11  
1671 SiCl2(CH3)2 dichlorodimethylsilane sicl2me2  
1672 CH2CClCH2CH3 1-Butene, 2-chloro- bute1cl2  
1673 CH2CHCH2CH2Cl 1-Butene, 4-chloro- bute1cl4  
1674 CH2CHCHClCH3 1-Butene, 3-chloro- bute1cl3  
1675 CH2ClCHCHCH3 2-Butene, 1-chloro- bute2cl1  
1676 CH3CClCHCH3 2-Butene, 2-chloro-, (E)- bute2cl2e  
1677 CH3CClCHCH3 2-Butene, 2-chloro-, (Z)- bute2cl2z  
1678 CHClCHCH2CH3 (E)-1-Chloro-1-butene bute1cl1  
1679 CHClCHCH2CH3 (Z)-1-Chloro-1-butene bute1cl1z  
1680 C4H9F 1-fluorobutane butaf1  
1681 CH3CHFCH2CH3 2-fluorobutane butaf2  
1682 CH2ClCH2CH2CH3 Butane, 1-chloro- butacl1  
1683 CH3CCl(CH3)CH3 Propane, 2-chloro-2-methyl- procl2me2  
1684 CH3CHClCH2CH3 Butane, 2-chloro- butacl2  
1685 XeF4 Xenon tetrafluoride xef4  
1686 C2H2N2O Furazan furazan  
1687 CF3PH2 phosphine, (trifluoromethyl)- cf3ph2  
1688 NH3BF3 Amminetrifluoroboron nh3bf3  
1689 C6H2 hexatriyne c6h2  
1690 C6H4 (E)-Hexa-1,5-diyne-3-ene c6h4e  
1691 C6H4 (Z)-Hexa-1,5-diyne-3-ene c6h4z  
1692 C6H4 Benzyne benzyne  
1693 C6H5 phenyl phenyl  
1694 C6H5- phenyl anion phenyl-  
1695 C6H6 Prismane prismane  
1696 C6H6 1,2,4,5-Hexatetraene ht1245  
1697 C6H6 2,4-Hexadiyne hexadiyne  
1698 C6H6 3,4-Dimethylenecyclobutene cb34m  
1699 C6H6 Benzene benzene  
1700 C6H6 Benzvalene bv  
1701 C6H6 Dewar Benzene dewar  
1702 C6H6 Hexa-1,5-diene-3-yne hdy153  
1703 C6H6 Trimethylenecycopropane tmcp  
1704 C6H6+ Benzene cation c6h6+  
1705 C6H7+ benzene, protonated c6h7+  
1706 C6H8 (E)-hexa-1,3,5-triene c821078  
1707 C6H8 (E)-hexa-2,3,4-triene c59660650  
1708 C6H8 (Z)-hexa-1,3,5-triene hexatri135  
1709 C6H8 (Z)-hexa-2,3,4-triene hetr234c  
1710 C6H8 1,3-Cyclohexadiene cyhexadiene13  
1711 C6H8 1,4-Cyclohexadiene cyhexadiene14  
1712 C6H8 3-Methylenecyclopentene c930267  
1713 C6H8 Bicyclo[2.1.1]hex-2-ene c822413  
1714 C6H8 Bicyclo[2.2.0]hex-1(4)-ene c30830207  
1715 C6H8 Bicyclo[3.1.0]hex-2-ene c694019  
1716 C6H10 1,3-Hexadiene, (E)- hexdi13e  
1717 C6H10 1,3-Hexadiene, (Z)- hexdi13z  
1718 C6H10 1,4-Hexadiene, (E)- hexdi14t  
1719 C6H10 1,4-Hexadiene, (Z)- hexdi14z  
1720 C6H10 1,5-Hexadiene c592427  
1721 C6H10 1-Butyne, 3,3-dimethyl- c917920  
1722 C6H10 1-Hexyne hexyne1  
1723 C6H10 2,4-Hexadiene, (E,E)- hexdi24ee  
1724 C6H10 2,4-Hexadiene, (E,Z)- hexdi24ez  
1725 C6H10 2,4-Hexadiene, (Z,Z)- hexdi24zz  
1726 C6H10 2-Hexyne c764352  
1727 C6H10 3-Hexyne hexyne3  
1728 C6H10 cyclohexene cyclohexene  
1729 C6H10 Cyclopentene, 1-methyl- c693890  
1730 C6H10 Cyclopentene, 3-methyl- c1120623  
1731 C6H10 Cyclopentene, 4-methyl- c1759815  
1732 C4H6(CH3)2 1,1-dimethylcyclobutane dmcb11  
1733 C6H12 (1R,2R)-1,2-dimethylcyclobutane dmcb12t  
1734 C6H12 (1r,3r)-1,3-dimethylcyclobutane dmcb13t  
1735 C6H12 (E)-2-Hexene e2hexene  
1736 C6H12 (E)-3-methylpent-2-ene c616126  
1737 C6H12 (E)-hex-3-ene e3hexene  
1738 C6H12 (Z)-3-methylpent-2-ene c922623  
1739 C6H12 (Z)-hex-2-ene z2hexene  
1740 C6H12 (Z)-hex-3-ene z3hexene  
1741 C6H12 2,3-dimethylbut-1-ene c563780  
1742 C6H12 2,3-dimethyl-but-2-ene tmeet  
1743 C6H12 3-methylenepentane c760214  
1744 C6H12 cis-1,2-dimethylcyclobutane dmcb12c  
1745 C6H12 cis-1,3-dimethylcyclobutane dmcb13c  
1746 C6H12 Cyclohexane cyclohexane  
1747 C6H12 Cyclopentane, methyl- c96377  
1748 C6H12 Ethylcyclobutane c4806615  
1749 C6H12 hex-1-ene hexene1  
1750 C6H14 Butane, 2,2-dimethyl- buta22  
1751 C6H14 Butane, 2,3-dimethyl- buta23  
1752 C6H14 Hexane hexane  
1753 C6H14 Pentane, 2-methyl- penta2  
1754 C6H14 Pentane, 3-methyl- penta3  
1755 C4N2 2-Butynedinitrile c4n2  
1756 N3P3 1,3,5,2,4,6-Triazatriphosphorine n3p3  
1757 C4H2N2 Fumaronitrile c4h2n2  
1758 C2H2N4 sym-tetrazine ttz  
1759 C3H3N3 1,3,5-Triazine triazine135  
1760 CH3N5 5-Aminotetrazole c4418615  
1761 C4H4N2 1,3-Diazine diazine13  
1762 C4H4N2 Pyrazine pyrazine  
1763 C4H4N2 Pyridazine pyridazine  
1764 C4H4N2 Succinonitrile c110612  
1765 C2H4N4 1H-Tetrazole, 1-methyl- c16681779  
1766 C2H4N4 1H-Tetrazole, 5-methyl- c4076362  
1767 C2H4N4 2H-Tetrazole, 2-methyl- c16681780  
1768 C5H5N Bicyclo[1.1.0]butane-1-carbonitrile bibucn  
1769 C5H5N E-2,4-pentadienenitrile bdcn  
1770 C5H5N Pyridine pyridine  
1771 B3N3H6 borazine borazine  
1772 C6H6 Fulvene fulvene  
1773 C5H6N+ Pyridinium c5h6n  
1774 C4H6N2 1H-Imidazole, 2-methyl- c693981  
1775 C5H7N (E)-2-Pentenenitrile c26294984  
1776 C5H7N (E)-3-Pentenenitrile c16529661  
1777 C5H7N (Z)-2-Pentenenitrile c25899507  
1778 C5H7N 1H-Pyrrole, 1-methyl- c96548  
1779 C5H7N Cyclobutanecarbonitrile c4426113  
1780 C5H9N 1,2,3,6-Tetrahydropyridine c694053  
1781 C5H9N Butanenitrile, 2-methyl- c18936179  
1782 C5H9N Pentanenitrile c110598  
1783 C5H9N Propanenitrile, 2,2-dimethyl- c630182  
1784 C6H10 Bicyclo[3.1.0]hexane c285585  
1785 C5H11N Cyclopentanamine cypentam  
1786 C5H11N Piperidine piper  
1787 C4H12N2 1,2-Butanediamine c4426486  
1788 C4H12N2 2-Methyl-1,2-propanediamine c811938  
1789 Li2CO3 Lithium Carbonate li2co3  
1790 Na2CO3 Sodium Carbonate na2co3  
1791 C2O4-- oxalate anion c2o4  
1792 MgSO4 Magnesium Sulfate mgso4  
1793 N2O4 Dinitrogen tetroxide n2o4  
1794 C3H2O3 vinylene carbonate vica  
1795 C2H2O4 Oxalic Acid oxalic  
1796 C2H3NO3 Oxamic acid oxamic  
1797 C4H4O2 2(5H)-Furanone furanone  
1798 C4H4O2 2-Oxetanone, 4-methylene- c674828  
1799 C2H4N2O2 Oxalamide oxalamide  
1800 C2H4N2S2 Ethanedithioamide c79403  
1801 C2H4CO3 Ethylene carbonate etco3  
1802 C3H4O2S 2H-Thiete-1,1-dioxide c7285327  
1803 C3H4S3 1,3-Dithiolane-2-thione c822388  
1804 C2H4O4 Formic acid dimer fadimer  
1805 C4H5NO 3-Methylisoxazole isox3m  
1806 C4H5NO Isoxazole, 5-methyl- c5765446  
1807 C4H5NS 4-Methylthiazole c693958  
1808 C2H5NO3 Nitric acid, ethyl ester c625581  
1809 C5H6O 2H-Pyran pyran2  
1810 C5H6O 2-methylfuran furan2m  
1811 C5H6O 3-Methylfuran furan3m  
1812 C5H6O Pentadienal pdal  
1813 C5H6S Thiophene, 2-methyl- c554143  
1814 C5H6S Thiophene, 3-methyl- c616444  
1815 C4H6O2 γ–Butyrolactone c96480  
1816 C4H6O2 2,3-Butanedione c431038  
1817 C4H6O2 2-Propenoic acid, methyl ester c96333  
1818 C4H6O2 Crotonic Acid crot  
1819 C4H6OS 2,3-dihydrothiophene-2-ol c9000117  
1820 C4H6OS 2,5-dihydrothiophene-3-ol c9000093  
1821 C4H6OS 4,5-dihydrothiophene-2-ol c9000106  
1822 C4H6OS 4,5-dihydrothiophene-3-ol c9000082  
1823 C4H6OS Dihydro-2-(3H)-thiophenone c1003107  
1824 C4H6OS Dihydro-3-(2H)-thiophenone c1003049  
1825 C4H6OS Vinyl sulfoxide c1115157  
1826 CH6N4S Carbonothioic dihydrazide thiacarb  
1827 C2H6N2O2 (E)-Azodioxymethane c37765154  
1828 C2H6N2O2 Dimethylnitroamine c4164287  
1829 C3H6O3 1,3,5-Trioxane trioxane  
1830 C3H6S3 1,3,5-Trithiane c3h6s3  
1831 C3H6S3 Carbonotrithioic acid, dimethyl ester c2314489  
1832 C2H6O3S Sulfurous acid, dimethyl ester c616422  
1833 C4H7NO 2-Pyrrolidinone c616455  
1834 C4H7NO Ethoxyacetonitrile etoaccn  
1835 C4H7NO Methacrylamide c79390  
1836 C4H7NO Oxazole, 4,5-dihydro-2-methyl- c1120645  
1837 HCONH2CN2H4 formamide aminomethanimine dimer d13  
1838 C3H7ONO Propyl nitrite prono  
1839 CH3CH(CH3)ONO Isopropyl nitrite c541424  
1840 CH3CH(NH2)COOH Alanine alanine  
1841 CH3NHCH2COOH Sarcosine sarcosine  
1842 NH2CH2CH2COOH β–alanine betaalanine  
1843 NH2COOC2H5 Urethane urethane  
1844 C5H8O 2H-Pyran, 3,4-dihydro- c110872  
1845 C5H8O Cyclopentanone c120923  
1846 C5H8O Furan, 2,3-dihydro-5-methyl- c1487156  
1847 C5H8O Methyl cyclopropyl ketone c765435  
1848 N(CH3)2CONH2 Urea, N,N-dimethyl- c598947  
1849 NH(CH3)CONH(CH3) Urea, N,N'-dimethyl- c96311  
1850 NH2CONHC2H5 Urea, ethyl- c625525  
1851 C4H8O2 1,3-Dioxane dioxan13  
1852 C4H8O2 1,3-Dioxolane, 2-methyl- c497267  
1853 C4H8O2 1,4-Dioxane dioxan14  
1854 C4H8O2 Ethene, 1,1-dimethoxy- c922690  
1855 C4H8O2 Ethyl acetate c141786  
1856 C4H8OS s-Ethyl thioacetate c625605  
1857 C3H8O3 1,2,3-Propanetriol glycerin  
1858 C3H8O2S (Methylsulfonyl)ethane c594434  
1859 C4H9NO Butanamide c541355  
1860 C4H9NO Propanamide, 2-methyl- c563837  
1861 C5H10O 2-Butanone, 3-methyl- c563804  
1862 C5H10O 2H-Pyran, tetrahydro- c142687  
1863 C5H10O 2-methylbutyraldehyde 2meba  
1864 C5H10O 2-Pentanone mpk  
1865 C5H10O 3-Pentanone dek  
1866 C5H10O Cyclopentanol c96413  
1867 C5H10O Oxetane, 3,3-dimethyl- c6921353  
1868 C5H10O Pentanal pal  
1869 C5H10S 2H-Thiopyran, tetrahydro- c1613510  
1870 C5H10S 3-Ethylthio-1-propene c5296628  
1871 C5H10S Cyclopentanethiol c1679078  
1872 C5H10S Thiophene, tetrahydro-2-methyl- c1795091  
1873 C5H10S Thiophene, tetrahydro-3-methyl- c4740005  
1874 C4H10O2 1,1-Dimethoxyethane c534156  
1875 C4H10O2 1,3-Butanediol budiol13  
1876 C4H10O2 1,4-Butanediol budiol14  
1877 C4H10O2 Ethane, 1,2-dimethoxy- c110714  
1878 C4H10OS Diethyl sulfoxide c70291  
1879 C4H10S2 1,4-Butanedithiol budisl14  
1880 C4H11NO Diethylhydroxylamine c3710847  
1881 C5H12O 1-Butanol, 2-methyl- c137326  
1882 C5H12O 1-Butanol, 3-methyl- c123513  
1883 C5H12O 1-Pentanol pentanol1  
1884 C5H12O 2-Butanol, 3-methyl- c598754  
1885 C5H12O 2-Pentanol peol2  
1886 C5H12O 3-Pentanol pentan3ol  
1887 C5H12O Butane, 1-methoxy- meobu  
1888 C5H12O Propane, 1-ethoxy- proet  
1889 C5H12O Propane, 2-methoxy-2-methyl- c1634044  
1890 C5H12S 1-Butanethiol, 2-methyl- c1878188  
1891 C5H12S 1-Butanethiol, 3-methyl- c541311  
1892 C5H12S 1-Pentanethiol c110667  
1893 C5H12S 1-Propanethiol, 2,2-dimethyl- c1679089  
1894 C5H12S 2-Butanethiol, 2-methyl- c1679090  
1895 C5H12S 2-Butanethiol, 3-methyl- c2084186  
1896 C5H12S Butane, 1-(methylthio)- c628295  
1897 C5H12S Ethyl propyl sulfide c4110503  
1898 C5H12S Propane, 2-(ethylthio)- c5145993  
1899 C5H12S Propane, 2-methyl-2-(methylthio)- c6163640  
1900 C4F2 difluorobutadiyne c4f2  
1901 ClCOClCO Oxalyl chloride oxcl  
1902 CF3CN Acetonitrile, trifluoro- cf3cn  
1903 CF3CN+ Acetonitrile, trifluoro- cation cf3cn+  
1904 B2F4 Diboron tetrafluoride b2f4  
1905 B2Cl4 Diboron tetrachloride b2cl4  
1906 C2F4 Tetrafluoroethylene c2f4  
1907 C2F4+ Tetrafluoroethylene cation c2f4+  
1908 C2ClF3 Ethene, chlorotrifluoro- c2f3cl  
1909 CF2CCl2 difluorodichloroethylene cf2ccl2  
1910 CFClCClF trans-1,2-dichloro-1,2-difluoroethylene cfclcclf  
1911 CFClCFCl cis-1,2-dichloro-1,2-difluoroethylene cfclcfcl  
1912 C2FCl3 fluorotrichloroethene c2fcl3  
1913 C2Cl4 Tetrachloroethylene c2cl4  
1914 C2Br4 tetrabromoethene c2br4  
1915 CF3OF Trifluoromethylhypofluorite cf3of  
1916 SiF5- silicon pentafluoride anion sif5-  
1917 SOF4 Sulfur tetrafluoride oxide sof4  
1918 PF5 Phosphorus pentafluoride pf5  
1919 AsF5 Arsenic pentafluoride asf5  
1920 PCl5 Phosphorus pentachloride pcl5  
1921 SF5 Sulfur pentafluoride sf5  
1922 SF5+ pentafluoro sulfur cation sf5+  
1923 SbCl5 Antimony pentachloride sbcl5  
1924 BrF5 bromine pentafluoride brf5  
1925 ClF5 chlorinepentafluoride clf5  
1926 IF5 pentafluoroiodine if5  
1927 CF3CHO trifluoroacetaldehyde cf3cho  
1928 CCl3CHO trichloroacetaldehyde ccl3cho  
1929 CHFClCHClF ethane, 1,2-dichloro-1,2-difluoro- chfclchclf  
1930 CF3CH2F 1,1,1,2-tetrafluoroethane cf3ch2f  
1931 CHF2CHF2 1,1,2,2-tetrafluoroethane chf2chf2  
1932 CF3CH2Cl 2,2,2-Trifluoroethyl chloride cf3ch2cl  
1933 CHFClCHFCl 1,2-dichloro-1,2-difluoroethane RR chfclchfcl  
1934 CH2ClCCl3 1,1,1,2-tetrachloroethane ch2clccl3  
1935 CHCl2CHCl2 Ethane, 1,1,2,2-tetrachloro- chcl2chcl2  
1936 CH2BrCBr3 1,1,1,2-tetrabromo ethane c2h2br4  
1937 CHCl2CHF2 1,1-dichloro-2,2-difluoroethane c2h2cl2f2  
1938 CF3COOH trifluoroacetic acid cf3cooh  
1939 C4H3ClO Furan, 2-chloro fur2cl  
1940 C4H3ClO Furan,3-chloro fur3cl  
1941 C3H5ClO2 Carbonochloridic acid, ethyl ester c541413  
1942 C3H5Cl3 Propane, 1,2,3-trichloro- prcl135  
1943 C4H8Cl2 1,4-Dichlorobutane c110565  
1944 C4H8Cl2 Butane, 1,2-dichloro- c616217  
1945 C4H8Cl2 Butane, 1,3-dichloro- c1190223  
1946 C4H8Cl2 Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- c2211678  
1947 C4H8Cl2 Butane, 2,3-dichloro-, (r*,s*)- c4028562  
1948 C4H9ClO 1-Chloro-2-ethoxyethane c628342  
1949 C5H11Cl Pentane, 1-chloro- pencl1  
1950 C4H8O2 Butanoic acid bua  
1951 C6H5CH2 benzyl radical benzyl  
1952 C7H7 cycloheptatrienyl radical c7h7  
1953 C7H7+ cycloheptatrienyl cation c7h7+  
1954 C6H5CH3 toluene toluene  
1955 C7H8 cycloheptatriene cht  
1956 C7H8 Norbornadiene norbor  
1957 C7H8 Quadricyclane qucy  
1958 C7H12 Norbornane nor  
1959 C7H14 cycloheptane c7h14  
1960 C7H16 2-methylhexane 2mhex  
1961 C7H16 3-methylhexane hex3m  
1962 C7H16 heptane heptane  
1963 CH(CN)3 tricyanomethane mecn3  
1964 HN=C=C(CN)2 Dicyanoketenimine c4hn3  
1965 C6H7N 2-Methylpyridine mp  
1966 C6H5NH2 aniline aniline  
1967 C6H13N 2-Methylpiperidine pip2m  
1968 C6H13N cyclohexanamine cham  
1969 C6H15N triethylamine tea  
1970 N2O5 Dinitrogen pentoxide n2o5  
1971 C4H2O3 Maleic Anhydride malan  
1972 C5H4O2 4-Cyclopentene-1,3-dione cpdio  
1973 C5H4O2 furfural furfural  
1974 C6H5O phenoxy radical phenoxy  
1975 C5H5NO 2(1H)-Pyridinone c72762006  
1976 C5H5NO 2(3H)-Pyridinone c9000048  
1977 C5H5NO 2(5H)-Pyridinone c9000037  
1978 C5H5NO 2-Pyridinol c109104  
1979 C5H5NO 3(2H)-Pyridinone c9000004  
1980 C5H5NO 3(4H)-Pyridinone c9000026  
1981 C5H5NO 3(6H)-Pyridinone c9000015  
1982 C5H5NO 3-Pyridinol c109002  
1983 C5H5NO 4(1H)-Pryidinone c9000060  
1984 C5H5NO 4(3H)-Pryidinone c9000059  
1985 C5H5NO 4-Pyridinol c626642  
1986 C6H5OH phenol phenol  
1987 C6H6O 2,4-Cyclohexadienone c24599573  
1988 C6H6O 2,5-Cyclohexadienone c5664335  
1989 C6H5SH Benzenethiol phsh  
1990 HO2CCHNH2CH2OH Serine serine  
1991 C5H8O2 Acetylacetone acac  
1992 C4H8O2S Sulfolane sulfolane  
1993 C7H10 Norbornene norbornene  
1994 CH(C2H3)3 trivinyl methane tvm  
1995 C6H10O cyclohexanone chexo  
1996 C6H12O hexanal c6h12o  
1997 C6H12O Oxepane oxepane  
1998 C3H7OC3H7 di-n-propyl ether propr  
1999 F2CCCF2 tetrafluoroallene pfa  
2000 CF3COO- trifluoro acetate anion cf3coo-  
2001 CF3COF trifluoroacetyl fluoride cf3cof  
2002 CF3COCl trifluoroacetyl chloride cf3cocl  
2003 PF6 Hexafluorophosphate neutral pf6  
2004 PF6- Hexafluorophosphate ion pf6-  
2005 SF6 Sulfur Hexafluoride sf6  
2006 SeF6 Selenium hexafluoride sef6  
2007 SF5Cl sulfur chloropentafluoride sf5cl  
2008 CF3CHF2 pentafluoroethane cf3chf2  
2009 CF3CHFCl 1,1,1,2-tetrafluorochloroethane cf3chfcl  
2010 CF3CHCl2 1,1-Dichloro-2,2,2-trifluoroethane cf3chcl2  
2011 CHCl2CClF2 Ethane, 1,2,2-trichloro-1,1-difluoro- chcl2cclf2  
2012 CCl3CHCl2 pentachloroethane ccl3chcl2  
2013 C6H5F Fluorobenzene bzf  
2014 C6H5Cl chlorobenzene bzcl  
2015 C6H5Br bromobenzene bzbr  
2016 C8H6 Calicene calicene  
2017 C6H5CCH phenylacetylene phac  
2018 C8H6 benzocyclobutadiene bcbd  
2019 C8H6 Pentalene pentalene  
2020 C6H5CHCH2 Styrene styrene  
2021 C8H8 cubane cubane  
2022 C8H8 cyclooctatetraene cot  
2023 C6H5CH2CH3 Ethylbenzene etbz  
2024 CH3C6H4CH3 meta-xylene mxylene  
2025 CH3C6H4CH3 paraxylene pxylene  
2026 C8H14 Bicyclo[2.2.2]octane bico222  
2027 C8H16 cyclooctane cyclooct  
2028 (CH3)3CC(CH3)3 tetramethylbutane tmb  
2029 C8H18 Octane c8h18  
2030 C6H5CN phenyl cyanide phcn  
2031 C6H12N2 Triethylenediamine ted  
2032 C4O4-- squarate dianion c4o4--  
2033 S4N4 Tetrasulfur tetranitride s4n4  
2034 C6H4O2 parabenzoquinone pbq  
2035 C4H4N2O2 Uracil uracil  
2036 C6H5CHO benzaldehyde benzal  
2037 C6H5OCH3 Anisole anisole  
2038 C5H9NO2 Proline proline  
2039 C6H12O2 Methyl pivalate c598981  
2040 C6H12O2 Hexanoic acid hexa  
2041 C4F4 tetrafluorcyclobutadiene c4f4  
2042 Al2Cl6 Aluminum, di-μ-chlorotetrachlorodi- al2cl6  
2043 CF3CF2Cl pentafluorochloroethane cf3cf2cl  
2044 CF2ClCF2Cl 1,2-Dichloro-1,1,2,2-tetrafluoroethane cf2clcf2cl  
2045 CF3CFCl2 1,1-Dichlorotetrafluoroethane cf3cfcl2  
2046 CF2ClCFCl2 Ethane, 1,1,2-trichloro-1,2,2-trifluoro- cf2clcfcl2  
2047 CF3CCl3 1,1,1-trifluoro-2,2,2-trichloroethane cf3ccl3  
2048 C2F6 hexafluoroethane c2f6  
2049 IF7 Iodine heptafluoride if7  
2050 C6H4F2 metadifluorobenzene mdfb  
2051 C6H4F2 orthodifluorobenzene odfb  
2052 C6H4F2 1,4-difluorobenzene pdfb  
2053 C6H4Cl2 1,2-dichlorobenzene dcb12  
2054 C6H4Cl2 1,3-dichlorobenzene dcb13  
2055 C6H4Cl2 1,4-dichlorobenzene dcb14  
2056 C6H5NO nitrosobenzene bzno  
2057 C9H8 Indene indene  
2058 C9H8 spiro[4.4]nona-1,3,6,8-tetraene snt  
2059 C9H12 n-propyl benzene prbz  
2060 C9H20 Nonane nonane  
2061 C(CN)4 tetracyanomethane c5n4  
2062 C5H4N4 purine purine  
2063 C8H7N Indole indole  
2064 C3H3N3O3 cyanuric acid cyanuric  
2065 C6H5NO2 Nitrobenzene c6h5no2  
2066 CH3COC6H5 acetophenone acph  
2067 C3Cl3N3 1,3,5-Triazine, 2,4,6-trichloro- c3cl3n3  
2068 C3F6 hexafluoropropene c3f6  
2069 C6H3F3 Benzene trifluoride 123 bzf3a  
2070 C8H18O 1-Octanol octanol  
2071 C10H8 Azulene azu  
2072 C10H8 naphthalene naph  
2073 C10H10 bullvalene bullv  
2074 C10H16 adamantane adamantane  
2075 C6N4 Tetracyanoethylene tcne  
2076 C6N4- tetracyanoethylene anion tcne-  
2077 C10H22 Decane decane  
2078 C4F6 perfluorobutadiene c4f6  
2079 SF5CF3 Sulfur, pentafluoro(trifluoromethyl)- sf5cf3  
2080 C3F8 perfluoropropane c3f8  
2081 Fe(CO)5 Iron pentacarbonyl ipc  
2082 Fe(C5H5)2 ferrocene fecp2  
2083 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2084 B12H12-- Dodecahydrododecaborate(2-) b12h12--  
2085 C12H8 Acenaphthylene acenaph  
2086 C12H8 biphenylene biph  
2087 C12H10 biphenyl biphenyl  
2088 C12H10 Heptalene heptalene  
2089 C6H12O6 Inositol inositol  
2090 C6F6 hexafluorobenzene c6f6  
2091 S2F10 disulphur decafluoride s2f10  
2092 C13H10 Fluorene fluorene  
2093 C14H10 Anthracene anth  
2094 C14H10 Phenanthrene phenanthrene  
2095 C14H14 Bibenzyl bibenzyl  
2096 C12H10N2 azobenzene azobenzene  
2097 C6H5COC6H5 benzophenone benzophenone  
2098 C16H10 Pyrene pyrene  
2099 C18H12 Tetracene tetracene  
2100 C19H16 Triphenylmethane tpm  
2101 C24H12 Coronene coronene  
2102 C60 Buckminsterfullerene c60